3-chloro-2-sulfanylbenzoic acid -Drug Synthesis Database

【结构式】

【分子编号】62066

【品名】3-chloro-2-sulfanylbenzoic acid

【CA登记号】

【分子式】C₇H₅ClO₂S

【分子量】188.6342

【元素组成】C 44.57% H 2.67% Cl 18.79% O 16.96% S 17%

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：(I)

Condensation of 3-chloro-thiosalicylic acid (I) with 1,3-propanediamine (II) in boiling ortho-dichlorobenzene leads to the cyclic amidine (III). Subsequent alkylation of the thiol group of (III) with 5-bromo-2-methoxybenzyl chloride (IV) furnishes the target thioether

参考文献中间体

合成目标

【1】 Maguire, M.P.; Dai, M.; Vos, T.J. (Millennium Pharmaceuticals, Inc.); Melanocortin-4 receptor binding cpds. and methods of use thereof. WO 0110842 .

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)	62066	3-chloro-2-sulfanylbenzoic acid		C₇H₅ClO₂S	详情	详情
(II)	19331	3-aminopropylamine; 1,3-propanediamine	109-76-2	C₃H₁₀N₂	详情	详情
(III)	62067	2-chloro-6-(1,4,5,6-tetrahydro-2-pyrimidinyl)benzenethiol; 2-chloro-6-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenylhydrosulfide		C₁₀H₁₁ClN₂S	详情	详情
(IV)	62068	4-bromo-2-(chloromethyl)-1-methoxybenzene; 4-bromo-2-(chloromethyl)phenyl methyl ether		C₈H₈BrClO	详情	详情

Extended Information