Benzoyl isothiocyanate → N-(2-Cyano-5-methylphenylcarbamothioyl)benzamide

반응식

[NH2:1][C:2]1[CH:9]=[C:8]([CH3:10])[CH:7]=[CH:6][C:3]=1[C:4]#[N:5].[C:11]([N:19]=[C:20]=[S:21])(=[O:18])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>>[C:4]([C:3]1[CH:6]=[CH:7][C:8]([CH3:10])=[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)=[S:21])#[N:5]

참가 물질

반응물 2

HCID 68284Benzoyl isothiocyanate

HCID 28012762-Amino-4-methylbenzonitrile

생성물 1

HCID 86625234N-(2-Cyano-5-methylphenylcarbamothioyl)benzamide

실험 절차

Prepared as in Example 1a from 2-amino-4-methylbenzonitrile and benzoyl isothiocyanate as a pale-yellow powder. 1H NMR (400 MHz, DMSO-d6) δ7.32 (d, J=8.0 Hz, 1H), 7.51-7.58 (m, 3H), 7.67 (t, J=7.8 Hz, 1H), 7.78 (d, J=8.0 Hz, 1H), 7.98-8.01 (m, 2H), 11.88 (s, 1H), 12.49 (s, 1H). MS 296 (MH+).

출처 및 근거

ORD 기록: ord-bba43de5a81047a1ba5c7172987ea55f
출처 데이터셋: uspto-grants-2013_09
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US08541421B2

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