2-{[2-Chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoic acid → 4-Fluoro-3-(4-trifluoromethylphenoxy)benzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoate

HRID 224322

반응식

HRID 224322 반응식
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][C:3]=1[NH:12][CH:13]([CH:17]([CH3:19])[CH3:18])[C:14]([OH:16])=[O:15].[C:20]([CH:22](O)[C:23]1[CH:28]=[C:27]([O:29][C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[CH:26]=[CH:25][C:24]=1[F:36])#[N:21].[F:38][C:39]1[CH:54]=[CH:53][C:42]([O:43][C:44]2[CH:45]=[C:46]([CH:49]=[CH:50][C:51]=2[F:52])[CH2:47][OH:48])=[CH:41][CH:40]=1.FC1C=CC(OC2C=CC(F)=CC=2)=CC=1CO.[F:72][C:73]1[CH:80]=[CH:79][C:76]([CH2:77][OH:78])=[CH:75][C:74]=1[O:81][C:82]1[CH:87]=[CH:86][C:85]([C:88]([F:91])([F:90])[F:89])=[CH:84][CH:83]=1>>[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][C:3]=1[NH:12][CH:13]([CH:17]([CH3:19])[CH3:18])[C:14]([O:16][CH:22]([C:20]#[N:21])[C:23]1[CH:28]=[C:27]([O:29][C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[CH:26]=[CH:25][C:24]=1[F:36])=[O:15].[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][C:3]=1[NH:12][CH:13]([CH:17]([CH3:19])[CH3:18])[C:14]([O:48][CH2:47][C:46]1[CH:49]=[CH:50][C:51]([F:52])=[C:44]([O:43][C:42]2[CH:53]=[CH:54][C:39]([F:38])=[CH:40][CH:41]=2)[CH:45]=1)=[O:15].[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][C:3]=1[NH:12][CH:13]([CH:17]([CH3:19])[CH3:18])[C:14]([O:16][CH:47]([C:20]#[N:21])[C:46]1[CH:49]=[CH:50][C:51]([F:52])=[C:44]([O:43][C:42]2[CH:53]=[CH:54][C:39]([F:38])=[CH:40][CH:41]=2)[CH:45]=1)=[O:15].[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][C:3]=1[NH:12][CH:13]([CH:17]([CH3:19])[CH3:18])[C:14]([O:78][CH2:77][C:76]1[CH:79]=[CH:80][C:73]([F:72])=[C:74]([O:81][C:82]2[CH:87]=[CH:86][C:85]([C:88]([F:90])([F:89])[F:91])=[CH:84][CH:83]=2)[CH:75]=1)=[O:15]

참가 물질

9

반응물 5

HCID 39476432-{[2-Chloro-4-(trifluoromethyl)phenyl]amino}-3-methylbutanoic acidHCID 20236070alpha-Cyano-2-fluoro-5-phenoxybenzyl alcoholHCID 538537784-Fluoro-3-(4-trifluoromethylphenoxy) benzyl alcoholHCID 540025222-Fluoro-5-(4-fluorophenoxy) benzyl alcoholHCID 541139083-(4-Fluorophenoxy)-4-fluorobenzyl alcohol

생성물 4

HCID 536727364-Fluoro-3-(4-trifluoromethylphenoxy)benzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoateHCID 54010191alpha-Cyano-3-(4-fluorophenoxy)-4-fluorobenzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoateHCID 541214613-(4-Fluorophenoxy)-4-fluorobenzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoateHCID 54319901alpha-Cyano-2-fluoro-5-phenoxybenzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoate

실험 절차

By the above procedure or the procedure of Example 3 α-cyano-2-fluoro-5-phenoxybenzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoate, 3-(4-fluorophenoxy)-4-fluorobenzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoate, α-cyano-3-(4-fluorophenoxy)-4-fluorobenzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoate, 4-fluoro-3-(4-methylphenoxy) benzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoate, 2-fluoro-5-(4-fluorophenoxy) benzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoate, and 4-fluoro-3-(4-trifluoromethylphenoxy)benzyl 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoate is prepared by the reaction of 2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoic acid or the acid chloride thereof with each of α-cyano-2-fluoro-5-phenoxybenzyl alcohol, 3-(4-fluorophenoxy)-4-fluorobenzyl alcohol, α-cyano-3-(4-fluorophenoxy)-4-fluorobenzyl alcohol,4-fluoro-3-(4-methylphenoxy) benzyl alcohol, 2-fluoro-5-(4-fluorophenoxy) benzyl alcohol, and 4-fluoro-3-(4-trifluoromethylphenoxy) benzyl alcohol, respectively.

출처 및 근거

ORD 기록
ord-1bc098726ae34e16b88c1c71b18e7889
출처 데이터셋
uspto-grants-1980_11
특허 번호
US04231953

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