Benzoyl isocyanate → HCID 57456928, 화합물

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[NH2:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([OH:10])[C:3]=1[C:4]#[N:5].[C:11]([N:19]=[C:20]=[O:21])(=[O:18])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>>[C:4]([C:3]1[C:6]([OH:10])=[CH:7][CH:8]=[CH:9][C:2]=1[NH:1][C:20]([NH:19][C:11](=[O:18])[C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1)=[O:21])#[N:5]

참가 물질

반응물 2

HCID 78210Benzoyl isocyanate

HCID 542287732-Amino-6-hydroxybenzonitrile

생성물 1

HCID 57456928HCID 57456928, 화합물

실험 절차

Prepared as in Example 53a from 2-amino-6-hydroxybenzonitrile and benzoyl isocyanate as an off-white solid (166 mg, 46%). 1H NMR (400 MHz, DMSO-d6) δ 6.76 (d, J=8.4 Hz, 1H), 7.46 (t, J=8 Hz, 1H), 7.54 (t, J=8 Hz, 2H), 7.66-7.73 (m, 2H), 8.04-8.06 (d, J=8 Hz, 2H), 11.24 (s, 1H), 11.30 (s, 1H), 11.42 (s, 1H). MS 281 (MH+).

출처 및 근거

ORD 기록: ord-22fea5a173164666a9bf464f7153e0ef
출처 데이터셋: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08633186B2

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