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【结 构 式】

【分子编号】47831

【品名】2-chloro-1-[(2R)-4-(4-fluorobenzyl)-2-methylpiperazinyl]-1-ethanone

【CA登记号】

【 分 子 式 】C14H18ClFN2O

【 分 子 量 】284.7609032

【元素组成】C 59.05% H 6.37% Cl 12.45% F 6.67% N 9.84% O 5.62%

与该中间体有关的原料药合成路线共 2 条

合成路线1

该中间体在本合成路线中的序号:(I)

Condensation of chloroacetyl derivative (I) with phenolic compound (II) by means of K2CO3 in DMF affords the desired compound.

1 Monahan, S.D.; Xu, W.; Morissey, M.M.; Bauman, J.G.; Ng, H.P.; Hesselgesser, J.E.; Liang, M.; Zheng, W.; Islam, I.; May, K.B.; Ghannam, A.F.; Buckman, B.O.; Horuk, R.; Wei, G.P. (Schering AG); Piperazine derivs. and their use as anti-inflammatory agents. US 6207665; WO 9856771 .
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) 47831 2-chloro-1-[(2R)-4-(4-fluorobenzyl)-2-methylpiperazinyl]-1-ethanone C14H18ClFN2O 详情 详情
(II) 47832 N-(5-chloro-2-hydroxyphenyl)urea C7H7ClN2O2 详情 详情

合成路线2

该中间体在本合成路线中的序号:(II)

In a further method, 1-(4-fluorobenzyl)-3-methylpiperazine (I) is acylated by chloroacetyl chloride to provide the chloroacetamide (II). Subsequent chloride displacement with 4-chlorophenol (III) leads to the target chlorophenoxy acetamide.

1 Monahan, S.D.; Xu, W.; Morissey, M.M.; Bauman, J.G.; Ng, H.P.; Hesselgesser, J.E.; Liang, M.; Zheng, W.; Islam, I.; May, K.B.; Ghannam, A.F.; Buckman, B.O.; Horuk, R.; Wei, G.P. (Schering AG); Piperazine derivs. and their use as anti-inflammatory agents. US 6207665; WO 9856771 .
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) 61035 (3R)-1-(4-fluorobenzyl)-3-methylpiperazine C12H17FN2 详情 详情
(II) 47831 2-chloro-1-[(2R)-4-(4-fluorobenzyl)-2-methylpiperazinyl]-1-ethanone C14H18ClFN2O 详情 详情
(III) 35543 4-chlorophenol 106-48-9 C6H5ClO 详情 详情
Extended Information