3-(Trifluoromethyl)phenyl isocyanate → HCID 135500083, 화합물

HRID 2111965노트

반응식

HRID 2111965 반응식
[NH2:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[NH:13][C:12](=[O:14])[O:11][N:10]=1.[F:15][C:16]([F:27])([F:26])[C:17]1[CH:18]=[C:19]([N:23]=[C:24]=[O:25])[CH:20]=[CH:21][CH:22]=1>C1COCC1>[Cl:8][C:6]1[CH:5]=[CH:4][C:3]([C:9]2[NH:13][C:12](=[O:14])[O:11][N:10]=2)=[C:2]([NH:1][C:24]([NH:23][C:19]2[CH:20]=[CH:21][CH:22]=[C:17]([C:16]([F:15])([F:26])[F:27])[CH:18]=2)=[O:25])[CH:7]=1

참가 물질

4

반응물 2

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 1360346823-(2-Amino-4-chlorophenyl)-1,2,4-oxadiazol-5(2H)-one

생성물 1

HCID 135500083HCID 135500083, 화합물수율 63%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

3-(2-Amino-4-chloro-phenyl)-4H-[1,2,4]oxadiazol-5-one (400 mg, 1.92 mmol) was dissolved in 20 ml dry THF and 3-trifluoromethyl-phenyl-isocyanate (450 mg, 2.40 mmol) was added and the reaction stirred for 16 hours. The solvent was reduced under vacuum and the product recrystallised from ethyl acetate and heptane to yield 480 mg (63%) of off-white crystalline solid (m.p. 246-248; decomposition).

후처리

  1. customthe product recrystallised from ethyl acetate and heptane

출처 및 근거

ORD 기록
ord-06d71198e0ec4e3da5527ee67b1bc718
출처 데이터셋
uspto-grants-2009_04
특허 번호
US07521480B2

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