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【结 构 式】

【分子编号】35741

【品名】(1R,5R)-3,3,5-trimethylcyclohexyl 2-hydroxy-2-phenylacetate

【CA登记号】456-59-7

【 分 子 式 】C17H24O3

【 分 子 量 】276.37576

【元素组成】C 73.88% H 8.75% O 17.37%

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:(VII)

This compound has been obtained by two related ways: 1) The reaction of the potassium salt of the nicotinic acid with oxalyl chloride in benzene gives the corresponding anhydride (II), which is condensed with 2-hydroxy-2-phenylacetic acid (III) in dioxane to yield the expected ester (IV). The reaction of (IV) with SOCl2 in dichloromethane affords 2-(nicotinoyloxy)-2-phenylacetyl chloride (V), which is finally esterified with the cyclohexanol (VI) in dichloromethane. 2) By acylation of the 2-hydroxy-2-phenylacetic acid cis-3,3,5-trimethylcyclohexyl ester (VII) with nicotinoyl chloride (VIII) in pyridine.

1 Verga, A. (Ravizza SpA); New process for preparing cis-3,3,5-trimethylcyclohexyl-D,L-alpha-(3-pyridinecarboxy)-phenylacetate. EP 0157151 .
2 Mauri, F. (Gaver SA); Novel spasmolytic cpd. and process for its preparation. BE 0824034; DE 2461909; FR 2256757; JP 1975105670 .
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) 10752 Nicotinic acid; Niacin 59-67-6 C6H5NO2 详情 详情
(II) 35737 nicotinic anhydride 16837-38-0 C12H8N2O3 详情 详情
(III) 28161 2-hydroxy-2-phenylacetic acid 611-72-3 C8H8O3 详情 详情
(IV) 35738 2-phenyl-2-[(3-pyridinylcarbonyl)oxy]acetic acid C14H11NO4 详情 详情
(V) 35739 2-chloro-2-oxo-1-phenylethyl nicotinate C14H10ClNO3 详情 详情
(VI) 35740 (1R,5R)-3,3,5-trimethylcyclohexanol C9H18O 详情 详情
(VII) 35741 (1R,5R)-3,3,5-trimethylcyclohexyl 2-hydroxy-2-phenylacetate 456-59-7 C17H24O3 详情 详情
(VIII) 10753 Nicotinoyl chloride C6H4ClNO 详情 详情
Extended Information