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【结 构 式】

【分子编号】69179

【品名】 

【CA登记号】 

【 分 子 式 】C3H3BrN2

【 分 子 量 】146.974

【元素组成】C 24.52% H 2.06% Br 54.37% N 19.06%

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:(XIIIb)

Intermediate (III) is prepared by protection of either 4-iodopyrazole (XIIIa) or 4-bromopyrazole (XIIIb) with ethyl vinyl ether (XIV) by means of HCl in toluene or CH2Cl2 to give the corresponding (1-ethoxyethyl)pyrazoles (XVa) and (XVb). Finally, pyrazole (XVa) is submitted to metal-halogen exchange by means of i-PrMgCl in THF, followed by condensation with isopropyl pinacol borate (XVI) (obtained by reaction of pinacol [XVII] with triisopropyl borate at reflux), or pyrazole (XVb) is condensed with methyl pinacol borate (XVIII) by means of i-PrMgCl·LiCl in THF .

1 Lin, Q., Meloni, D., Pan, Y. et al. Enantioselective synthesis of Janus kinase inhibitor INCB018424 via an organocatalytic aza-Michael reaction. Org Lett 2009, 11(9): 1999-2002.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(XIIIa) 69178 4-iodopyrazole;4-Iodo-1H-pyrazole 3469-69-0 C3H3IN2 详情 详情
(XIIIb) 69179     C3H3BrN2 详情 详情
(XVa) 69180 1-(1-ethoxyethyl)-4-iodo-1H-pyrazole   C7H11IN2O 详情 详情
(XVb) 69181 4-bromo-1-(1-ethoxyethyl)-1H-pyrazole   C7H11BrN2O 详情 详情
(III) 68071 1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole   C13H23BN2O3 详情 详情
(XIV) 18762 1-Ethoxyethylene; Ethyl vinyl ether;Ethoxyethene 109-92-2 C4H8O 详情 详情
(XVI) 67808 Isopropyl pinacolyl borate;Isopropoxyboronic acid pinacol ester;2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 61676-62-8 C9H19BO3 详情 详情
(XVII) 68108 2,3-Dimethyl-2,3-butanediol;2,3-Dimethylbutane-2,3-diol;Tetramethylethylene glycol;pinacol 76-09-5 C6H14O2 详情 详情
(XVIII) 69182 Methoxyboronic acid pinacol ester;2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 1195-66-0 C7H15BO3 详情 详情
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