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【结 构 式】

【分子编号】52012

【品名】5-[4-(methylsulfanyl)phenyl]-1-phenyl-4,5-dihydro-1H-pyrazol-3-amine; 5-[4-(methylsulfanyl)phenyl]-1-phenyl-4,5-dihydro-1H-pyrazol-3-ylamine

【CA登记号】

【 分 子 式 】C16H17N3S

【 分 子 量 】283.3972

【元素组成】C 67.81% H 6.05% N 14.83% S 11.31%

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)

The cyclization of phenylhydrazine (I) with 3-[4-(methylsulfanyl)phenyl]acrylonitrile (II) by means of NaOEt in refluxing ethanol gives the aminopyrazoline (III), which is dehydrogenated by means of MnO2 in dichloromethane to yield the 3-aminopyrazole (IV). The diazotation of (IV) with NaNO2 and HCl in water, followed by a treatment with Cu2Cl2, affords the 3-chloropyrazole (V), which is finally oxidized to the target sulfone by means of MCPBA in dichloromethane.

1 Matsuo, M.; Okumura, K.; Ogino, T.; Nakamura, K.; Nishimura, H.; Harada, K.; Hotta, Y.; Tsuji, K. (Fujisawa Pharmaceutical Co., Ltd.); 1,3,5-Trisubstd. pyrazoles for treatment of inflammation. EP 0856000; JP 1999513403; WO 9713755 .
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) 11818 Phenyl hydrazine; 1-Phenylhydrazine 100-63-0 C6H8N2 详情 详情
(II) 52011 (E)-3-[4-(methylsulfanyl)phenyl]-2-propenenitrile C10H9NS 详情 详情
(III) 52012 5-[4-(methylsulfanyl)phenyl]-1-phenyl-4,5-dihydro-1H-pyrazol-3-amine; 5-[4-(methylsulfanyl)phenyl]-1-phenyl-4,5-dihydro-1H-pyrazol-3-ylamine C16H17N3S 详情 详情
(IV) 52013 5-[4-(methylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-3-ylamine; 5-[4-(methylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-3-amine C16H15N3S 详情 详情
(V) 52014 4-(3-chloro-1-phenyl-1H-pyrazol-5-yl)phenyl methyl sulfide; 3-chloro-5-[4-(methylsulfanyl)phenyl]-1-phenyl-1H-pyrazole C16H13ClN2S 详情 详情
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