【药物名称】Flutoprazepam, KB-509, Restas
化学结构式(Chemical Structure):
参考文献No.47019
标题:Process for producing benzodiazepine derivatives
作者:Yamamoto, H.; et al. (Sumitomo Chemical Co., Ltd.)
来源:US 3632574
合成路线图解说明:

The reaction of ethyl o-fluorophenylpyruvate (I) with p-chloro-N1-cyclopropylmethylphenylhydrazine (II) in refluxing ethanol gives the corresponding phenylhydrazone (III), which is cyclized by treating with HCl in hot ethanol yielding ethyl 1-cyclopropylmethyl-3-(2-fluorophenyl)-5-chloroindole-2-carboxylate (IV). The hydrolysis of (IV) with KOH in refluxing ethanol affords the corresponding free acid (V), which by treatment with refluxing SOCl2 is converted into the acyl chloride (VI). The reaction of (VI) with ammonia in water gives rise to the corresponding amide (VII), which by reduction with LiAlH4 in ether yields 1-cyclopropylmethyl-2-aminomethyl-3-(2-fluorophenyl)-5-chloroindole (VIII). Finally, this compound is treated with CrO3 in acetic acid. The reaction of amide (VII) with refluxing POCl3 yields the nitrile (IX), which can be reduced with LiAlH4 in ether affording the 2-aminomethyl compound (VIII) already obtained.

合成路线图解说明:

The reaction of o-fluorophenylpyruvate (I) with p-chlorophenylhydrazine (X) in refluxing ethanol gives ethyl o-fluorophenylpyruvate p-chlorophenylhydrazone (XI), which is cyclized by treatment with dry HCl in refluxing ethanol yielding ethyl 3-(2-fluorophenyl)-5-chloroindole-2-carboxylate (XII). The N-alkylation of (XII) with cyclopropylmethyl bromide (A) by means of KOH in refluxing acetone affords compound (IV) of the preceding sequence.

合成路线图解说明:

The condensation of p-chlorophenyldiazonium chloride (from p-chloroaniline (XIII) and NaNO2-HCl) and ethyl o-fluorobenzylacetoacetate (XIV) in methanol-water gives ethyl alpha-(o-fluorobenzyl)-alpha-(p-chlorophenylazo) acetoacetate (XV), which is cyclized to indole (XII) by means of H2SO4 in refluxing isopropanol.

合成路线图解说明:

The hydrolysis of 3-(2-fluorophenyl)-5-chloroindole-2-carboxylate (XII) with KOH in refluxing ethanol affords the corresponding free acid (XVI), which by treatment with refluxing SOCl2 is converted into the acyl chloride (XVII). The reaction of (XVII) with NH3 in ether yields the amide (XVIII), which by N-alkylation with cyclopropylmethyl bromide (A) by means of NaH in DMF gives rise to the alkylated amide (VII) already obtained.

合成路线图解说明:

The dehydration of the amide (XVIII) with refluxing POCl3 gives the corresponding nitrile (XIX), which by reduction with LiAlH4 in ether is converted into the 2-aminomethyl derivative (XX). The treatment of (XX) with CrO3 in acetic acid yields 5-(2-fluorophenyl)-7chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one (XXI) (1,10), which is finally N-alkylated with cyclopropylmethy bromide (A) by means of phenyllithium in THF.

参考文献No.47022
标题:Production of benzodiazepine derivs.
作者:Mori, K.; Okamoto, T.; Inaba, S.; Yamamoto, H.; Hirohashi, T.; Maruyama, I.; Ishizumi, K.; Kobayashi, T.; Yamamoto, M. (Sumitomo Chemical Co., Ltd.)
来源:US 3666643
合成路线图解说明:

a) By cyclization of 2-cyclopropylmethylamino-5-chloro-2'-fluorobenzophenone (XXII) with 2,5-oxazolidinedione (XXIII) by means of dry HCl in CH2Cl2-ether. b) By dehydrogenation of 1-cyclopropylmethyl-5-(2-fluorophenyl)-7-chloro-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (XXIV) by means of hexamethylenetetramine in refluxing acetic acid or by means of S or also by irradiation with a mercury lamp in DMS. c) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-[2-(p-toluenesulfonyloxy)acetyl]amino]benzophenone (XXV) by means of NH3 in chloroform. d) By cyclization of the aminobenzophenone (XXII) with 2-chloro-1,3,2-oxazaphospholidin-5-one (XXVI) (prepared in situ from glycine and PCl3). e) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(benzyloxycarbonylacetyl)amino]benzophenone (XXVII) by means of HBr in acetic acid. f) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(aminoacetyl)amino]benzophenone (XXVIII) by means of aqueous ammonia.

参考文献No.47578
标题:Preparation of benzodiazepin derivatives
作者:Ishizumi, K.; et al. (Sumitomo Chemical Co., Ltd.)
来源:JP 52065287
合成路线图解说明:

a) By cyclization of 2-cyclopropylmethylamino-5-chloro-2'-fluorobenzophenone (XXII) with 2,5-oxazolidinedione (XXIII) by means of dry HCl in CH2Cl2-ether. b) By dehydrogenation of 1-cyclopropylmethyl-5-(2-fluorophenyl)-7-chloro-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (XXIV) by means of hexamethylenetetramine in refluxing acetic acid or by means of S or also by irradiation with a mercury lamp in DMS. c) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-[2-(p-toluenesulfonyloxy)acetyl]amino]benzophenone (XXV) by means of NH3 in chloroform. d) By cyclization of the aminobenzophenone (XXII) with 2-chloro-1,3,2-oxazaphospholidin-5-one (XXVI) (prepared in situ from glycine and PCl3). e) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(benzyloxycarbonylacetyl)amino]benzophenone (XXVII) by means of HBr in acetic acid. f) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(aminoacetyl)amino]benzophenone (XXVIII) by means of aqueous ammonia.

参考文献No.56155
标题:KB-509
作者:Blancafort, P.; Serradell, M.N.; Casta馿r, J.
来源:Drugs Fut 1979,4(10),720
合成路线图解说明:

The reaction of ethyl o-fluorophenylpyruvate (I) with p-chloro-N1-cyclopropylmethylphenylhydrazine (II) in refluxing ethanol gives the corresponding phenylhydrazone (III), which is cyclized by treating with HCl in hot ethanol yielding ethyl 1-cyclopropylmethyl-3-(2-fluorophenyl)-5-chloroindole-2-carboxylate (IV). The hydrolysis of (IV) with KOH in refluxing ethanol affords the corresponding free acid (V), which by treatment with refluxing SOCl2 is converted into the acyl chloride (VI). The reaction of (VI) with ammonia in water gives rise to the corresponding amide (VII), which by reduction with LiAlH4 in ether yields 1-cyclopropylmethyl-2-aminomethyl-3-(2-fluorophenyl)-5-chloroindole (VIII). Finally, this compound is treated with CrO3 in acetic acid. The reaction of amide (VII) with refluxing POCl3 yields the nitrile (IX), which can be reduced with LiAlH4 in ether affording the 2-aminomethyl compound (VIII) already obtained.

合成路线图解说明:

The reaction of o-fluorophenylpyruvate (I) with p-chlorophenylhydrazine (X) in refluxing ethanol gives ethyl o-fluorophenylpyruvate p-chlorophenylhydrazone (XI), which is cyclized by treatment with dry HCl in refluxing ethanol yielding ethyl 3-(2-fluorophenyl)-5-chloroindole-2-carboxylate (XII). The N-alkylation of (XII) with cyclopropylmethyl bromide (A) by means of KOH in refluxing acetone affords compound (IV) of the preceding sequence.

合成路线图解说明:

The condensation of p-chlorophenyldiazonium chloride (from p-chloroaniline (XIII) and NaNO2-HCl) and ethyl o-fluorobenzylacetoacetate (XIV) in methanol-water gives ethyl alpha-(o-fluorobenzyl)-alpha-(p-chlorophenylazo) acetoacetate (XV), which is cyclized to indole (XII) by means of H2SO4 in refluxing isopropanol.

合成路线图解说明:

The hydrolysis of 3-(2-fluorophenyl)-5-chloroindole-2-carboxylate (XII) with KOH in refluxing ethanol affords the corresponding free acid (XVI), which by treatment with refluxing SOCl2 is converted into the acyl chloride (XVII). The reaction of (XVII) with NH3 in ether yields the amide (XVIII), which by N-alkylation with cyclopropylmethyl bromide (A) by means of NaH in DMF gives rise to the alkylated amide (VII) already obtained.

合成路线图解说明:

The dehydration of the amide (XVIII) with refluxing POCl3 gives the corresponding nitrile (XIX), which by reduction with LiAlH4 in ether is converted into the 2-aminomethyl derivative (XX). The treatment of (XX) with CrO3 in acetic acid yields 5-(2-fluorophenyl)-7chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one (XXI) (1,10), which is finally N-alkylated with cyclopropylmethy bromide (A) by means of phenyllithium in THF.

合成路线图解说明:

a) By cyclization of 2-cyclopropylmethylamino-5-chloro-2'-fluorobenzophenone (XXII) with 2,5-oxazolidinedione (XXIII) by means of dry HCl in CH2Cl2-ether. b) By dehydrogenation of 1-cyclopropylmethyl-5-(2-fluorophenyl)-7-chloro-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (XXIV) by means of hexamethylenetetramine in refluxing acetic acid or by means of S or also by irradiation with a mercury lamp in DMS. c) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-[2-(p-toluenesulfonyloxy)acetyl]amino]benzophenone (XXV) by means of NH3 in chloroform. d) By cyclization of the aminobenzophenone (XXII) with 2-chloro-1,3,2-oxazaphospholidin-5-one (XXVI) (prepared in situ from glycine and PCl3). e) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(benzyloxycarbonylacetyl)amino]benzophenone (XXVII) by means of HBr in acetic acid. f) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(aminoacetyl)amino]benzophenone (XXVIII) by means of aqueous ammonia.

参考文献No.700982
标题:Process for producing 1-substituted benzodiazepine derivatives
作者:Okamoto, T.; et al.
来源:DE 2151540; FR 2110017; GB 1338106; NL 7114202; US 3832344
合成路线图解说明:

The dehydration of the amide (XVIII) with refluxing POCl3 gives the corresponding nitrile (XIX), which by reduction with LiAlH4 in ether is converted into the 2-aminomethyl derivative (XX). The treatment of (XX) with CrO3 in acetic acid yields 5-(2-fluorophenyl)-7chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one (XXI) (1,10), which is finally N-alkylated with cyclopropylmethy bromide (A) by means of phenyllithium in THF.

参考文献No.700983
标题:1,4-Benzodiazepines
作者:Yamamoto, H.; et al.
来源:US 3989829
合成路线图解说明:

a) By cyclization of 2-cyclopropylmethylamino-5-chloro-2'-fluorobenzophenone (XXII) with 2,5-oxazolidinedione (XXIII) by means of dry HCl in CH2Cl2-ether. b) By dehydrogenation of 1-cyclopropylmethyl-5-(2-fluorophenyl)-7-chloro-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (XXIV) by means of hexamethylenetetramine in refluxing acetic acid or by means of S or also by irradiation with a mercury lamp in DMS. c) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-[2-(p-toluenesulfonyloxy)acetyl]amino]benzophenone (XXV) by means of NH3 in chloroform. d) By cyclization of the aminobenzophenone (XXII) with 2-chloro-1,3,2-oxazaphospholidin-5-one (XXVI) (prepared in situ from glycine and PCl3). e) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(benzyloxycarbonylacetyl)amino]benzophenone (XXVII) by means of HBr in acetic acid. f) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(aminoacetyl)amino]benzophenone (XXVIII) by means of aqueous ammonia.

参考文献No.700985
标题:Production of benzodiazepine derivatives
作者:Inaba, S.; et al.
来源:DE 2113122; FR 2084817; GB 1287853; NL 7103679; US 3666643
合成路线图解说明:

a) By cyclization of 2-cyclopropylmethylamino-5-chloro-2'-fluorobenzophenone (XXII) with 2,5-oxazolidinedione (XXIII) by means of dry HCl in CH2Cl2-ether. b) By dehydrogenation of 1-cyclopropylmethyl-5-(2-fluorophenyl)-7-chloro-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (XXIV) by means of hexamethylenetetramine in refluxing acetic acid or by means of S or also by irradiation with a mercury lamp in DMS. c) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-[2-(p-toluenesulfonyloxy)acetyl]amino]benzophenone (XXV) by means of NH3 in chloroform. d) By cyclization of the aminobenzophenone (XXII) with 2-chloro-1,3,2-oxazaphospholidin-5-one (XXVI) (prepared in situ from glycine and PCl3). e) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(benzyloxycarbonylacetyl)amino]benzophenone (XXVII) by means of HBr in acetic acid. f) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(aminoacetyl)amino]benzophenone (XXVIII) by means of aqueous ammonia.

参考文献No.700986
标题:
作者:Yamamoto, H.; et al.
来源:JP 7620519
合成路线图解说明:

a) By cyclization of 2-cyclopropylmethylamino-5-chloro-2'-fluorobenzophenone (XXII) with 2,5-oxazolidinedione (XXIII) by means of dry HCl in CH2Cl2-ether. b) By dehydrogenation of 1-cyclopropylmethyl-5-(2-fluorophenyl)-7-chloro-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (XXIV) by means of hexamethylenetetramine in refluxing acetic acid or by means of S or also by irradiation with a mercury lamp in DMS. c) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-[2-(p-toluenesulfonyloxy)acetyl]amino]benzophenone (XXV) by means of NH3 in chloroform. d) By cyclization of the aminobenzophenone (XXII) with 2-chloro-1,3,2-oxazaphospholidin-5-one (XXVI) (prepared in situ from glycine and PCl3). e) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(benzyloxycarbonylacetyl)amino]benzophenone (XXVII) by means of HBr in acetic acid. f) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(aminoacetyl)amino]benzophenone (XXVIII) by means of aqueous ammonia.

参考文献No.700987
标题:Verfahren zu Herstellung von Benzodiazepinen und ihren Salzen mit S鋟ren
作者:Yamamoto, H.; et al.
来源:AT 314544B; CH 562226; NL 7117350
合成路线图解说明:

a) By cyclization of 2-cyclopropylmethylamino-5-chloro-2'-fluorobenzophenone (XXII) with 2,5-oxazolidinedione (XXIII) by means of dry HCl in CH2Cl2-ether. b) By dehydrogenation of 1-cyclopropylmethyl-5-(2-fluorophenyl)-7-chloro-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (XXIV) by means of hexamethylenetetramine in refluxing acetic acid or by means of S or also by irradiation with a mercury lamp in DMS. c) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-[2-(p-toluenesulfonyloxy)acetyl]amino]benzophenone (XXV) by means of NH3 in chloroform. d) By cyclization of the aminobenzophenone (XXII) with 2-chloro-1,3,2-oxazaphospholidin-5-one (XXVI) (prepared in situ from glycine and PCl3). e) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(benzyloxycarbonylacetyl)amino]benzophenone (XXVII) by means of HBr in acetic acid. f) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(aminoacetyl)amino]benzophenone (XXVIII) by means of aqueous ammonia.

参考文献No.700989
标题:
作者:Yamamoto, H.; et al.
来源:JP 7404225
合成路线图解说明:

a) By cyclization of 2-cyclopropylmethylamino-5-chloro-2'-fluorobenzophenone (XXII) with 2,5-oxazolidinedione (XXIII) by means of dry HCl in CH2Cl2-ether. b) By dehydrogenation of 1-cyclopropylmethyl-5-(2-fluorophenyl)-7-chloro-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one (XXIV) by means of hexamethylenetetramine in refluxing acetic acid or by means of S or also by irradiation with a mercury lamp in DMS. c) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-[2-(p-toluenesulfonyloxy)acetyl]amino]benzophenone (XXV) by means of NH3 in chloroform. d) By cyclization of the aminobenzophenone (XXII) with 2-chloro-1,3,2-oxazaphospholidin-5-one (XXVI) (prepared in situ from glycine and PCl3). e) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(benzyloxycarbonylacetyl)amino]benzophenone (XXVII) by means of HBr in acetic acid. f) By cyclization of 5-chloro-2'-fluoro-2-[N-cyclopropylmethyl-N-(aminoacetyl)amino]benzophenone (XXVIII) by means of aqueous ammonia.

参考文献No.700990
标题:
作者:Yamamoto, H.; et al.
来源:ZA 6806061
合成路线图解说明:

The reaction of ethyl o-fluorophenylpyruvate (I) with p-chloro-N1-cyclopropylmethylphenylhydrazine (II) in refluxing ethanol gives the corresponding phenylhydrazone (III), which is cyclized by treating with HCl in hot ethanol yielding ethyl 1-cyclopropylmethyl-3-(2-fluorophenyl)-5-chloroindole-2-carboxylate (IV). The hydrolysis of (IV) with KOH in refluxing ethanol affords the corresponding free acid (V), which by treatment with refluxing SOCl2 is converted into the acyl chloride (VI). The reaction of (VI) with ammonia in water gives rise to the corresponding amide (VII), which by reduction with LiAlH4 in ether yields 1-cyclopropylmethyl-2-aminomethyl-3-(2-fluorophenyl)-5-chloroindole (VIII). Finally, this compound is treated with CrO3 in acetic acid. The reaction of amide (VII) with refluxing POCl3 yields the nitrile (IX), which can be reduced with LiAlH4 in ether affording the 2-aminomethyl compound (VIII) already obtained.

合成路线图解说明:

The condensation of p-chlorophenyldiazonium chloride (from p-chloroaniline (XIII) and NaNO2-HCl) and ethyl o-fluorobenzylacetoacetate (XIV) in methanol-water gives ethyl alpha-(o-fluorobenzyl)-alpha-(p-chlorophenylazo) acetoacetate (XV), which is cyclized to indole (XII) by means of H2SO4 in refluxing isopropanol.

合成路线图解说明:

The hydrolysis of 3-(2-fluorophenyl)-5-chloroindole-2-carboxylate (XII) with KOH in refluxing ethanol affords the corresponding free acid (XVI), which by treatment with refluxing SOCl2 is converted into the acyl chloride (XVII). The reaction of (XVII) with NH3 in ether yields the amide (XVIII), which by N-alkylation with cyclopropylmethyl bromide (A) by means of NaH in DMF gives rise to the alkylated amide (VII) already obtained.

合成路线图解说明:

The dehydration of the amide (XVIII) with refluxing POCl3 gives the corresponding nitrile (XIX), which by reduction with LiAlH4 in ether is converted into the 2-aminomethyl derivative (XX). The treatment of (XX) with CrO3 in acetic acid yields 5-(2-fluorophenyl)-7chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one (XXI) (1,10), which is finally N-alkylated with cyclopropylmethy bromide (A) by means of phenyllithium in THF.

参考文献No.700991
标题:
作者:Yamamoto, H.; et al.
来源:JP 7035906
合成路线图解说明:

The reaction of ethyl o-fluorophenylpyruvate (I) with p-chloro-N1-cyclopropylmethylphenylhydrazine (II) in refluxing ethanol gives the corresponding phenylhydrazone (III), which is cyclized by treating with HCl in hot ethanol yielding ethyl 1-cyclopropylmethyl-3-(2-fluorophenyl)-5-chloroindole-2-carboxylate (IV). The hydrolysis of (IV) with KOH in refluxing ethanol affords the corresponding free acid (V), which by treatment with refluxing SOCl2 is converted into the acyl chloride (VI). The reaction of (VI) with ammonia in water gives rise to the corresponding amide (VII), which by reduction with LiAlH4 in ether yields 1-cyclopropylmethyl-2-aminomethyl-3-(2-fluorophenyl)-5-chloroindole (VIII). Finally, this compound is treated with CrO3 in acetic acid. The reaction of amide (VII) with refluxing POCl3 yields the nitrile (IX), which can be reduced with LiAlH4 in ether affording the 2-aminomethyl compound (VIII) already obtained.

Drug Information Express,Drug R&D,Chemical Database,Patent Search.
Copyright © 2006-2024 Drug Future. All rights reserved.Contact Us