Benzyl isocyanate → (4-{[Benzyl({[3,5-bis(trifluoromethyl)benzoyl]amino}sulfonyl)amino]methyl}cyclohexyl)methyl 2-phenylethylcarbamate

HRID 23733

반응식

HRID 23733 반응식
C(NC(=O)O[CH2:11][CH:12]1[CH2:17][CH2:16][CH:15]([CH2:18][N:19]([CH2:40][C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=2)[S:20]([NH:23][C:24](=[O:39])[C:25]2[CH:30]=[C:29]([C:31]([F:34])([F:33])[F:32])[CH:28]=[C:27]([C:35]([F:38])([F:37])[F:36])[CH:26]=2)(=[O:22])=[O:21])[CH2:14][CH2:13]1)C1C=CC=CC=1.[CH2:48]([N:56]=[C:57]=[O:58])[CH2:49][C:50]1[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=1.C(N=C=[O:68])C1C=CC=CC=1>>[C:50]1([CH2:49][CH2:48][NH:56][C:57](=[O:68])[O:58][CH2:11][CH:12]2[CH2:17][CH2:16][CH:15]([CH2:18][N:19]([CH2:40][C:41]3[CH:42]=[CH:43][CH:44]=[CH:45][CH:46]=3)[S:20]([NH:23][C:24](=[O:39])[C:25]3[CH:30]=[C:29]([C:31]([F:32])([F:33])[F:34])[CH:28]=[C:27]([C:35]([F:36])([F:37])[F:38])[CH:26]=3)(=[O:21])=[O:22])[CH2:14][CH2:13]2)[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=1

참가 물질

4

반응물 3

HCID 76639Benzyl isocyanateHCID 160602Phenethyl isocyanateHCID 22574464(4-{[Benzyl({[3,5-bis(trifluoromethyl)benzoyl]amino}sulfonyl)amino]methyl}cyclohexyl)methyl benzylcarbamate

생성물 1

HCID 22574475(4-{[Benzyl({[3,5-bis(trifluoromethyl)benzoyl]amino}sulfonyl)amino]methyl}cyclohexyl)methyl 2-phenylethylcarbamate

실험 절차

Following procedure to make (9), phenethyl isocyanate was substituted for benzyl isocyanate to give the title compound after purification. 1H NMR (500 MHz, DMSO-d6): δ 12.43 (s, 1H), 8.45 (s, 2H), 8.10 (s, 1H), 7.37 (d, 2H), 7.27 (t, 3H), 7.16 (m, 3H), 7.07 (t, 2H), 4.34 (s, 2H), 3.61 (d, 2H), 3.14 (m, 2H), 3.30 (water), 2.88 (d, 2H), 2.66 (t, 2H), 2.48 (DMSO), 1.62 (m, 2H), 1.52 (m, 2H), 1.32 (m, 1H), 1.26 (m, 1H), 0.63 (m, 4H).

출처 및 근거

ORD 기록
ord-5bbeaa3f00ff4371874d44bdbf2cdc73
출처 데이터셋
uspto-grants-2005_02
특허 번호
US06852738B2

연결된 노트

불러오는 중…