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【结 构 式】

【分子编号】12094

【品名】2-(3-Fluorobenzoyl)-N,1-dimethyl-1-hydrazinecarbothioamide

【CA登记号】

【 分 子 式 】C10H12FN3OS

【 分 子 量 】241.2893032

【元素组成】C 49.78% H 5.01% F 7.87% N 17.41% O 6.63% S 13.29%

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:(IV)

The reaction of methyl hydrazine (I) and methyl isothiocyanate (II) in either ethanol or THF afforded 2,4-dimethylthiosemicarbazide (III). Acylation of (III) with 3-fluorobenzoyl chloride in either pyridine or THF/N(Et)3 yielded 1-(3-fluorobenzoyl)-2,4-dimethylthiosemicarbazide (IV), which was easily cyclized to MDL 26,479 by warming in 1 M aqueous NaOH.

1 Miller, J.A.; Dudley, M.W.; Kehne, J.H.; Sorensen, S.M.; Wenstrup, D.L.; Kane J.M.; MDL 26,479. Drugs Fut 1992, 17, 1, 21.
2 Dudley, M.W.; Baron, B.M.; Sorensen, S.M.; Miller, F.P.; MDL 26,479: A potential antidepressant whose mechanism of action involves interaction at the GABAA receptor complex. 29th Annu Meet Amer Coll Neuropsychopharmacol (Dec 10-14, San Juan) 1990, Abst.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
63420 3-fluorobenzoyl chloride C7H4ClFO 详情 详情
(I) 12091 1-Methylhydrazine; Monomethyl hydrazine 60-34-4 CH6N2 详情 详情
(II) 12092 Methyl isothiocyanate; MITC; (Methylimino)(thioxo)methane 556-61-6 C2H3NS 详情 详情
(III) 12093 2,4-Dimethylthiosemicarbazide; N,1-Dimethyl-1-hydrazinecarbothioamide 6621-75-6 C3H9N3S 详情 详情
(IV) 12094 2-(3-Fluorobenzoyl)-N,1-dimethyl-1-hydrazinecarbothioamide C10H12FN3OS 详情 详情
Extended Information