Ethanol → 4-{5-Chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-[(2-methoxy-phenyl)-methyl-carbamoyl]-phenoxy}-butyric acid ethyl ester

HRID 448945노트

반응식

HRID 448945 반응식
[Cl:1][C:2]1[C:3]([C:27]2[CH:28]=[N:29][C:30]([C:35]([F:38])([F:37])[F:36])=[CH:31][C:32]=2[C:33]#[N:34])=[CH:4][C:5]([C:15](=[O:26])[N:16]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[O:24][CH3:25])[CH3:17])=[C:6]([CH:14]=1)[O:7][CH2:8][CH2:9][CH2:10][C:11]([OH:13])=[O:12].[CH2:39](O)[CH3:40]>O=S(Cl)Cl>[CH2:39]([O:12][C:11](=[O:13])[CH2:10][CH2:9][CH2:8][O:7][C:6]1[CH:14]=[C:2]([Cl:1])[C:3]([C:27]2[CH:28]=[N:29][C:30]([C:35]([F:38])([F:36])[F:37])=[CH:31][C:32]=2[C:33]#[N:34])=[CH:4][C:5]=1[C:15](=[O:26])[N:16]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[O:24][CH3:25])[CH3:17])[CH3:40]

참가 물질

4

반응물 2

HCID 702EthanolHCID 251589894-{5-Chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-[(2-methoxy-phenyl)-methyl-carbamoyl]-phenoxy}-butyric acid

생성물 1

HCID 593703594-{5-Chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-[(2-methoxy-phenyl)-methyl-carbamoyl]-phenoxy}-butyric acid ethyl ester

시약·촉매·용매 1

HCID 24386Thionyl Chloride촉매

실험 절차

To 4-{5-Chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-[(2-methoxy-phenyl)-methyl-carbamoyl]-phenoxy}-butyric acid in ethanol (1 mL), 10 drops of SOCl2 were added. The mixture was stirred at it for 24 hrs. The crude was purified via reverse phase preparative LCMS to afford 4-{5-chloro-4-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-2-[(2-methoxy-phenyl)-methyl-carbamoyl]-phenoxy}-butyric acid ethyl ester 43-1 (12.2 mg). MS: [M+H]+576.3; tR=6.33 min (method 3).

후처리

  1. customThe crude was purified via reverse phase preparative LCMS

출처 및 근거

ORD 기록
ord-a9393062b17a4ceb9904774bf37dc83a
출처 데이터셋
uspto-grants-2013_07
특허 번호
US08481738B2

반응 노트

불러오는 중…