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【结 构 式】

【分子编号】34883

【品名】2-cyano-2-propylpentanoic acid

【CA登记号】

【 分 子 式 】C9H15NO2

【 分 子 量 】169.22364

【元素组成】C 63.88% H 8.93% N 8.28% O 18.91%

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)

This compound has been obtained by two different ways: 1) The reaction of dipropylcarbinol (I) with HBr gives 4-bromoheptane (II), which is treated with KCN to yield 2-propylpentanenitrile (III). Finally, this compound is hydrolyzed to the target compound with NaOH or with H2SO4. 2) The condensation of cyanacetic acid ethyl ester (IV) with propyl bromide (V) by means of sodium propoxide in propanol gives crude dipropylcyanaacetic acid ethyl ester, which, without isolation, is hydrolyzed with NaOH in hot water yielding dipropylcyanacetic acid (VI). The decarboxylation of (VI) at 140-190 C affords the previously reported 2-propylpentanenitrile (III).

1 Walles, M.; et al.; Z Physiolog Chem 1947, 282, 2, 137.
2 Grain, C.; Chignac, M.; Pigerol, C. (Labaz); Process for the preparation of acetonitrile deriv.. US 4155929 .
3 Chignac, M.; Grain, C.; Pigerol, C. (Labaz); Process for preparing an acetonitrile deriv.. GB 1522450 .
4 Pigerol, C.; Grain, C.; Chignac, M. (Labaz); Process for preparing acetic acid derivs.. GB 1529786 .
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) 34880 4-heptanol 589-55-9 C7H16O 详情 详情
(II) 34881 4-bromoheptane 998-93-6 C7H15Br 详情 详情
(III) 34882 2-propylpentanenitrile 13310-75-3 C8H15N 详情 详情
(IV) 11877 Cyanoacetic acid ethyl ester; Ethyl 2-cyanoacetate; Ethyl cyanoacetate; Ethyl isocyanacetate 105-56-6 C5H7NO2 详情 详情
(V) 28721 1-bromobutane 109-65-9 C4H9Br 详情 详情
(VI) 34883 2-cyano-2-propylpentanoic acid C9H15NO2 详情 详情
Extended Information