(3R)-3-hydroxy-4-(trimethylammonio)butanoate; L(-)-Carnitine -Drug Synthesis Database

【结构式】

【分子编号】42353

【品名】(3R)-3-hydroxy-4-(trimethylammonio)butanoate; L(-)-Carnitine

【CA登记号】541-15-1

【分子式】C₇H₁₅NO₃

【分子量】161.20104

【元素组成】C 52.16% H 9.38% N 8.69% O 29.78%

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)

Intermediate hydroxyester (III) has been obtained as follows: Demethylation of (R)-carnitine (I) by thiophenol in dimethylaminoethanol, followed by precipitation with LiOH, gave lithium carboxylate (II), which was esterified to (III) by treatment either with H2SO4 in MeOH or with trimethyl orthoformate in refluxing methanol.

参考文献中间体

合成目标

【1】 Bryant, S.D.; Hubieki, M.P.; Robinette, R.G.; Gandourk, R.D.; Savle, P.S.; Doncel, G.F.; Acylcarnitine analogues as topical, microbicidal spermicides. Bioorg Med Chem Lett 1999, 9, 17, 2545.

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)	42353	(3R)-3-hydroxy-4-(trimethylammonio)butanoate; L(-)-Carnitine	541-15-1	C₇H₁₅NO₃	详情	详情
(II)	42354	lithium (3R)-4-(dimethylamino)-3-hydroxybutanoate		C₆H₁₂LiNO₃	详情	详情
(III)	42355	methyl (3R)-4-(dimethylamino)-3-hydroxybutanoate		C₇H₁₅NO₃	详情	详情

Extended Information