• English
  • 简体中文
Login Register
Current Location: Home > Feedback Help Print

【结 构 式】

【分子编号】48354

【品名】methyl 6-[[(Z)-1-methoxyethylidene]amino]-5-([[(3R)-9-nitro-4-oxo-1-phenyl-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]amino]carbonyl)-2-pyridinecarboxylate

【CA登记号】

【 分 子 式 】C28H24N6O7

【 分 子 量 】556.5348

【元素组成】C 60.43% H 4.35% N 15.1% O 20.12%

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:(V)

3(R)-Amino-1-phenyl-6,7-dihydro-3H-[1,4]diazepin[6,7,1-hi]indol-4-one (I) was nitrated using KNO3 in concentrated H2SO4 to furnish the 9-nitro derivative (II). Coupling of (II) with 2-amino-6-(methoxycarbonyl)pyridine-3-carboxylic acid (III) in the presence of DCC and HOBt gave amide (IV). Imidate (V) was prepared by heating (IV) with trimethyl orthoacetate under vacuum distillation of the generated MeOH. Cyclization of (V) to produce the target pyridopyrimidine system (VI) was achieved using scandium triflate as the catalyst. The nitro group was finally hydrogenated over Ru/C to yield the title amino derivative.

1 Bernardelli, P. (Pfizer Inc.); Method for preparing substd. [1,4]diazepino[6,7,1-hi]indol-4-ones. FR 2795731; WO 0102403 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 47459 (3R)-3-amino-1-phenyl-6,7-dihydro[1,4]diazepino[6,7,1-hi]indol-4(3H)-one C17H15N3O 详情 详情
(II) 47460 (3R)-3-amino-9-nitro-1-phenyl-6,7-dihydro[1,4]diazepino[6,7,1-hi]indol-4(3H)-one C17H14N4O3 详情 详情
(III) 48352 2-amino-6-(methoxycarbonyl)nicotinic acid C8H8N2O4 详情 详情
(IV) 48353 methyl 6-amino-5-([[(3R)-9-nitro-4-oxo-1-phenyl-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]amino]carbonyl)-2-pyridinecarboxylate C25H20N6O6 详情 详情
(V) 48354 methyl 6-[[(Z)-1-methoxyethylidene]amino]-5-([[(3R)-9-nitro-4-oxo-1-phenyl-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]amino]carbonyl)-2-pyridinecarboxylate C28H24N6O7 详情 详情
(VI) 48355 methyl 2-methyl-3-[(3S)-9-nitro-4-oxo-1-phenyl-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-7-carboxylate C27H20N6O6 详情 详情
Extended Information