4-ethylbenzoyl chloride -Drug Synthesis Database

【结构式】

【分子编号】34026

【品名】4-ethylbenzoyl chloride

【CA登记号】16331-45-6

【分子式】C₉H₉ClO

【分子量】168.62256

【元素组成】C 64.11% H 5.38% Cl 21.02% O 9.49%

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：(IX)

The condensation of thiophene (E) and 4-ethylbenzoyl chloride (IX) by means of SnCl4 in CH2Cl2 gives (4-ethylphenyl)(2-thienyl)ketone (X), which is brominated with N-bromosuccidine and benzoyl peroxide in CCl4 to [4-(1-bromoethyl)phenyl](2-thienyl)ketone (XI); then this product is treated with NaCN in DMSO to obtain the acetonitrile (VIII), which, without purification, is hydrolyzed with H2SO4 and acetic acid.

参考文献中间体

合成目标

【1】 Van Daele, P.G.H.; et al.; Synthesis of alpha-methyl-4-(2-thienylcarbonyl)benzene acetic acid, suprofen and derivatives. Arzneim-Forsch Drug Res 1975, 25, 10, 1495-1501.
【2】 Castaner, J.; Chatterjee, S.S.; Suprofen. Drugs Fut 1976, 1, 3, 148.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(E)	13297	Thiophene	110-02-1	C₄H₄S	详情	详情
(VIII)	34024	2-[4-(2-thienylcarbonyl)phenyl]propanenitrile		C₁₄H₁₁NOS	详情	详情
(IX)	34026	4-ethylbenzoyl chloride	16331-45-6	C₉H₉ClO	详情	详情
(X)	34027	(4-ethylphenyl)(2-thienyl)methanone		C₁₃H₁₂OS	详情	详情
(XI)	34028	[4-(1-bromoethyl)phenyl](2-thienyl)methanone		C₁₃H₁₁BrOS	详情	详情

Extended Information