Cyclohexyl isocyanate → HCID 67354653, 화합물

HRID 75779

반응식

HRID 75779 반응식
C(OC(C1ON=C(C2C=CC(N)=CC=2)C=1)=O)C.C1(N=C=O)CCCCC1.[CH2:27]([O:29][C:30]([C:32]1[O:36][N:35]=[C:34]([C:37]2[CH:42]=[CH:41][C:40]([NH:43][C:44]([NH:46][C:47]3[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=3)=[O:45])=[CH:39][CH:38]=2)[CH:33]=1)=[O:31])[CH3:28].[K+].[Br-]>>[CH2:27]([O:29][C:30]([C:32]1[O:36][N:35]=[C:34]([C:37]2[CH:38]=[CH:39][C:40]([NH:43][C:44]([NH:46][CH:47]3[CH2:52][CH2:51][CH2:50][CH2:49][CH2:48]3)=[O:45])=[CH:41][CH:42]=2)[CH:33]=1)=[O:31])[CH3:28]

참가 물질

5

반응물 4

HCID 18502Cyclohexyl isocyanateHCID 253877Potassium BromideHCID 53407704Ethyl 3-(4-aminophenyl)isoxazole-5-carboxylateHCID 67352240HCID 67352240, 화합물

생성물 1

HCID 67354653HCID 67354653, 화합물수율 75%

실험 절차

The title compound was prepared from 3-(4-amino-phenyl)-isoxazol-5-carboxylic acid ethyl ester and cyclohexyl isocyanate by same procedure as set forth for the preparation of 3-[4-(3-phenyl-ureido)-phenyl]-isoxazole-5-carboxylic acid ethyl ester and was obtained in 75% yield. Mass (ES+), 358 (M++1); IR (KBr): 3304, 2928, 2852, 1731, 1634, 1570 (br); 1H NMR (DMSO-d6) δ: 1.33 (t, 3H), 1.14-1.81 (4×m, 10H), 3.45 (br, 1H), 4.37 (q, 2H), 6.18 (d, 1H), 7.50 (d, 2H), 7.60 (s, 1H), 7.79 (s, 1H), 7.8.1 (d, 2H), 8.59 (s, 1H).

후처리

  1. customwas obtained in 75% yield

출처 및 근거

ORD 기록
ord-53f4d7ff59f245f59e1bfcfa30d2f0b4
출처 데이터셋
uspto-grants-2014_09
특허 번호
US08835428B2

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