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【结 构 式】

【分子编号】39983

【品名】3-(trifluoromethyl)phenyl isocyanate; 1-isocyanato-3-(trifluoromethyl)benzene

【CA登记号】329-01-1

【 分 子 式 】C8H4F3NO

【 分 子 量 】187.1211096

【元素组成】C 51.35% H 2.15% F 30.46% N 7.49% O 8.55%

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)

The title urea derivative was obtained by condensation of 3-(trifluoromethyl)phenyl isocyanate (I) with anthranilic acid (II).

1 Baures, P.W.; et al.; Synthesis and evaluation of inhibitors of transthyretin amyloid formation based on the non-steroidal anti-inflammatory drug, flufenamic acid. Bioorg Med Chem 2000, 7, 7, 1339.
2 Christophersen, P.; Pedersen, O. (NeuroSearch A/S); Phenyl derivs. containing an acidic group, their preparation and their use as chloridic channel blockers. EP 0906273; EP 0977741; JP 2000511167; WO 9745400; WO 9847879 .
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) 39983 3-(trifluoromethyl)phenyl isocyanate; 1-isocyanato-3-(trifluoromethyl)benzene 329-01-1 C8H4F3NO 详情 详情
(II) 11661 2-Aminobenzoic acid;Anthranilic acid; o-Aminobenzoic acid 118-92-3 C7H7NO2 详情 详情

合成路线2

该中间体在本合成路线中的序号:(I)

The target compound can be obtained by condensation of 3-trifluoromethylphenyl isocyanate (I) with 5-(2-amino-5-bromophenyl)tetrazole in toluene.

1 Christophersen, P.; Pedersen, O. (NeuroSearch A/S); Phenyl derivs. containing an acidic group, their preparation and their use as chloridic channel blockers. EP 0906273; EP 0977741; JP 2000511167; WO 9745400; WO 9847879 .
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) 39983 3-(trifluoromethyl)phenyl isocyanate; 1-isocyanato-3-(trifluoromethyl)benzene 329-01-1 C8H4F3NO 详情 详情
(II) 50181 4-bromo-2-(1H-1,2,3,4-tetraazol-5-yl)phenylamine; 4-bromo-2-(1H-1,2,3,4-tetraazol-5-yl)aniline C7H6BrN5 详情 详情
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