1-(bromomethyl)-4-cyclohexylbenzene -Drug Synthesis Database

【结构式】

【分子编号】35382

【品名】1-(bromomethyl)-4-cyclohexylbenzene

【CA登记号】

【分子式】C₁₃H₁₇Br

【分子量】253.18198

【元素组成】C 61.67% H 6.77% Br 31.56%

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：(VI)

The esterification of 3-(benzoylsulfanyl)-2(S)-methylpropionic acid with 4-nitrophenol (II) by means of DCC in dichloromethane gives the corresponding ester (III), which is condensed with S-(4-cyclohexylbenzyl)-L-cysteine (IV) (obtained by alkylation of L-cysteine (V) with 4-cyclohexylbenzyl bromide (VI)) to yield the corresponding amide (VII). Finally, this compound is debenzoylated by a treatment with aqueous NH4OH.

参考文献中间体

合成目标

【1】 Horiuchi, M.; Fujimura, K.; Suhara, H. (Santen Pharmaceutical Co., Ltd.); Novel sulfur-containing amino acid derivs.. EP 0947502; JP 1998130225; US 6046235; WO 9809943 .

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)	35379	(2S)-3-(benzoylsulfanyl)-2-methylpropionic acid		C₁₁H₁₂O₃S	详情	详情
(II)	11236	4-Nitrophenol; p-Nitrophenol	100-02-7	C₆H₅NO₃	详情	详情
(III)	35380	4-nitrophenyl (2S)-3-(benzoylsulfanyl)-2-methylpropanoate		C₁₇H₁₅NO₅S	详情	详情
(IV)	35381	(2R)-2-amino-3-[(4-cyclohexylbenzyl)sulfanyl]propionic acid		C₁₆H₂₃NO₂S	详情	详情
(V)	14643	L-cysteine; (R)-2-Amino-3-mercaptopropionic acid	52-90-4	C₃H₇NO₂S	详情	详情
(VI)	35382	1-(bromomethyl)-4-cyclohexylbenzene		C₁₃H₁₇Br	详情	详情
(VII)	35383	(2R)-2-[[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]amino]-3-[(4-cyclohexylbenzyl)sulfanyl]propionic acid		C₂₇H₃₃NO₄S₂	详情	详情

Extended Information