4-[(4-hydroxyphenyl)sulfanyl]benzoic acid -Drug Synthesis Database

【结构式】

【分子编号】42103

【品名】4-[(4-hydroxyphenyl)sulfanyl]benzoic acid

【CA登记号】

【分子式】C₁₃H₁₀O₃S

【分子量】246.2866

【元素组成】C 63.4% H 4.09% O 19.49% S 13.02%

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：(II)

Ether cleavage of 4-(4-methoxyphenylsulfanyl)benzoic acid (I) with pyridine hydrochloride at 220 C provided phenol derivative (II). Subsequent esterification of (II) with methanol and sulfuric acid gave methyl ester (III). The quinolylmethyl ether (V) was then prepared by alkylation of (III) with 2-(chloromethyl)quinoline (IV) in the presence of K2CO3 and KI. Finally, the methyl ester group of (V) was hydrolyzed employing a hydroalcoholic solution of KOH.

参考文献中间体

合成目标

【1】 Bucharova, V.; Jrickova, H.; Brunova B.; Kuchar, M.; Jandera, A.; Panajotova V.; Kmonicek, V. (Research Institute of Pharmacy and Biochemistry (VUFB)); Derivs. of hydroxyphenylsulfanylbenzoic and hydroxyphenylsulfanylarylacetic acids. WO 9967208 .

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)	42102	4-[(4-methoxyphenyl)sulfanyl]benzoic acid		C₁₄H₁₂O₃S	详情	详情
(II)	42103	4-[(4-hydroxyphenyl)sulfanyl]benzoic acid		C₁₃H₁₀O₃S	详情	详情
(III)	42104	methyl 4-[(4-hydroxyphenyl)sulfanyl]benzoate		C₁₄H₁₂O₃S	详情	详情
(IV)	13162	2-(Chloromethyl)quinoline; alpha-Chloroquinaldine	4377-41-7	C₁₀H₈ClN	详情	详情
(V)	42105	methyl 4-[[4-(2-quinolinylmethoxy)phenyl]sulfanyl]benzoate		C₂₄H₁₉NO₃S	详情	详情

Extended Information