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【结 构 式】

【分子编号】37350

【品名】5-(4-hydroxycyclohexyl)-1,3-dimethyl-1,3,5-triazinan-2-one

【CA登记号】

【 分 子 式 】C11H21N3O2

【 分 子 量 】227.30676

【元素组成】C 58.12% H 9.31% N 18.49% O 14.08%

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:(III)

Selective O-alkylation of trans-4-aminocyclohexanol (I) was effected by protection of the amino group as the triazinone (III) upon treatment with N,N-dimethylurea and formaldehyde. Subsequent alkylation of (III) with tert-butyl bromoacetate under phase-transfer conditions afforded ether (IV). The protecting group of (IV) was then removed by treatment with ammonium chloride.

1 Ono, S.; Yoshida, T.; Ashimori, A.; Kosaka, K.; Okada, T.; Maeda, K.; Eda, M.; Mori, F.; Inoue, Y.; Ebisu, H.; Imada, T.; Ikegawa, R.; Wang, F.; Nakamura, N. (Welfide Corporation); Novel fused-ring carboxylic acid cpds. or salt thereof,and medicinal use thereof. EP 0712844; JP 1996053398; JP 1996231548; US 5635527; US 5753670; WO 9533720 .
2 Nakamura, N.; Imada, T.; Inoue, Y.; Kosaka, K.; Yoshida, T.; Ono, S.; Fukaya, C.; Maeda, K.; Preparation and pharmacological evaluation of novel glycoprotein (Gp) IIb/IIIa antagonists. 2. Condensed heterocyclic derivatives. Chem Pharm Bull 1999, 47, 12, 1694.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
17430 2-Bromoacetic acid tert-butyl ester; tert-butyl 2-bromoacetate; tert-Butyl bromoacetate 5292-43-3 C6H11BrO2 详情 详情
(I) 19581 trans-4-Aminocyclohexanol;trans-4-Amino-1-cyclohexanol;trans-4-Amino-1-cyclohexanol; 27489-62-9 C6H13NO 详情 详情
(II) 21488 N,N'-dimethylurea 96-31-1 C3H8N2O 详情 详情
(III) 37350 5-(4-hydroxycyclohexyl)-1,3-dimethyl-1,3,5-triazinan-2-one C11H21N3O2 详情 详情
(IV) 37351 tert-butyl 2-[[4-(3,5-dimethyl-4-oxo-1,3,5-triazinan-1-yl)cyclohexyl]oxy]acetate C17H31N3O4 详情 详情
(V) 37352 tert-butyl 2-[(4-aminocyclohexyl)oxy]acetate C12H23NO3 详情 详情
Extended Information