tert-butyl 4-[([7-chloro-3-methyl-2-[(4-methyl-1-piperazinyl)methyl]-4-oxo-3,4-dihydro-6-quinazolinyl]methyl)(2-propynyl)amino]benzoate -Drug Synthesis Database

【结构式】

【分子编号】46872

【品名】tert-butyl 4-[([7-chloro-3-methyl-2-[(4-methyl-1-piperazinyl)methyl]-4-oxo-3,4-dihydro-6-quinazolinyl]methyl)(2-propynyl)amino]benzoate

【CA登记号】

【分子式】C₃₀H₃₆ClN₅O₃

【分子量】550.10044

【元素组成】C 65.5% H 6.6% Cl 6.44% N 12.73% O 8.73%

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)

Displacement of the mesylate group of (XV) with N-methylpiperazine (XVI) produced the disubstituted piperazine (XVII). The tert-butyl ester of (XVII) was cleaved to the corresponding carboxylic acid (XVIII) by means of trifluoroacetic acid in CH2Cl2. Then coupling of (XVIII) with 3-(aminomethyl)pyridine (XIX) gave rise to the title amide.

参考文献中间体

合成目标

【1】 Bavetsias, V.; et al.; The design and synthesis of water-soluble analogues of CB30865, a quinazolin-4-one-based antitumor agent. J Med Chem 2002, 45, 17, 3692.
【2】 Bavetsias, V.; Jackman, A.; Skelton, L. (Cancer Research Campaign Technology Ltd.); Anti-cancer dihydroquinazoline derivs.. WO 0050417 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(XV)	46871	tert-butyl 4-[[(7-chloro-3-methyl-2-[[(methylsulfonyl)oxy]methyl]-4-oxo-3,4-dihydro-6-quinazolinyl)methyl](2-propynyl)amino]benzoate		C₂₆H₂₈ClN₃O₆S	详情	详情
(XVI)	10061	1-Methylpiperazine; 1-Methyl piperazine; N-Methylpiperazine	109-01-3	C₅H₁₂N₂	详情	详情
(XVII)	46872	tert-butyl 4-[([7-chloro-3-methyl-2-[(4-methyl-1-piperazinyl)methyl]-4-oxo-3,4-dihydro-6-quinazolinyl]methyl)(2-propynyl)amino]benzoate		C₃₀H₃₆ClN₅O₃	详情	详情
(XVIII)	46873	4-[([7-chloro-3-methyl-2-[(4-methyl-1-piperazinyl)methyl]-4-oxo-3,4-dihydro-6-quinazolinyl]methyl)(2-propynyl)amino]benzoic acid		C₂₆H₂₈ClN₅O₃	详情	详情
(XIX)	18731	3-pyridinylmethanamine; 3-pyridinylmethylamine	3731-52-0	C₆H₈N₂	详情	详情

Extended Information