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【结 构 式】

【分子编号】35945

【品名】2-[[4-(2-benzoyl-4-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl]-1H-isoindole-1,3(2H)-dione

【CA登记号】

【 分 子 式 】C24H15ClN4O3

【 分 子 量 】442.86096

【元素组成】C 65.09% H 3.41% Cl 8.01% N 12.65% O 10.84%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(XVII)

The reaction of (III) with (XI) by means of pyridine in THF gives 1,3-dioxo-2-isoindolineacetic acid [[N-(2-benzoyl-4-chlorophenyl)-1,3-dioxo-2-isoindolineacetamido]methylene]hydrazide (XVI), which by cyclization by means of trifluoroacetic acid in refluxing toluene yields 5-chloro-2-[3-(phtalimidomethyl)-4H-1,2,4-triazol-4-yl-benzophenone (XVII). The reaction of (XVII) with N,N,N',N'-tetramethyldiaminomethane (A) by means of acetyl chloride in DMF affords 5-chloro-2-[3-[(dimethylamino)methyl-5-(phthalimidomethyl)-4H-1,2,4-triazol-4-yl]benzophenone (XVIII), which is finally cyclized by means of hydrazine in hot ethanol.

1 Gall, M.; Hester, J.B.; US 3957761 .
2 Castaner, J.; Pento, J.T.; Blancafort, P.; Serradell, M.N.; Adinazolam. Drugs Fut 1983, 8, 2, 87.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(A) 14349 N,N,N,N-tetramethylmethanediamine; tetramethylmethylenediamine;bis(dimethylamino)methane; N-[(dimethylamino)methyl]-N,N-dimethylamine 51-80-9 C5H14N2 详情 详情
(III) 35937 3-amino-6-chloro-4-phenyl-3,4-dihydro-4-quinazolinol C14H12ClN3O 详情 详情
(XI) 10278 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl chloride 6780-38-7 C10H6ClNO3 详情 详情
(XVI) 35944 N-(2-benzoyl-4-chlorophenyl)-N,N'-bis[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]hydrazonoformamide C34H22ClN5O7 详情 详情
(XVII) 35945 2-[[4-(2-benzoyl-4-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl]-1H-isoindole-1,3(2H)-dione C24H15ClN4O3 详情 详情
(XVIII) 35946 2-([4-(2-benzoyl-4-chlorophenyl)-5-[(dimethylamino)methyl]-4H-1,2,4-triazol-3-yl]methyl)-1H-isoindole-1,3(2H)-dione C27H22ClN5O3 详情 详情
Extended Information