Hydrochloric Acid → 1-[3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-prop-2-ynyl]-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid

HRID 1253772

반응식

HRID 1253772 반응식
C([O:3][C:4]([C:6]1[CH:7]=[N:8][N:9]([CH2:15][C:16]#[C:17][C:18]2[CH:23]=[CH:22][C:21]([C:24]3[O:28][N:27]=[C:26]([CH3:29])[C:25]=3[NH:30][C:31]([O:33][CH:34]([C:36]3[CH:41]=[CH:40][CH:39]=[CH:38][C:37]=3[Cl:42])[CH3:35])=[O:32])=[CH:20][CH:19]=2)[C:10]=1[C:11]([F:14])([F:13])[F:12])=[O:5])C.CO.[OH-].[Li+].Cl>O>[Cl:42][C:37]1[CH:38]=[CH:39][CH:40]=[CH:41][C:36]=1[CH:34]([O:33][C:31]([NH:30][C:25]1[C:26]([CH3:29])=[N:27][O:28][C:24]=1[C:21]1[CH:20]=[CH:19][C:18]([C:17]#[C:16][CH2:15][N:9]2[C:10]([C:11]([F:14])([F:13])[F:12])=[C:6]([C:4]([OH:5])=[O:3])[CH:7]=[N:8]2)=[CH:23][CH:22]=1)=[O:32])[CH3:35]

참가 물질

6

반응물 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 3939Lithium HydroxideHCID 685296471-[3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-prop-2-ynyl]-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester

생성물 1

HCID 462398851-[3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-prop-2-ynyl]-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid

시약·촉매·용매 1

HCID 962Water용매

실험 절차

To a solution of 1-[3-(4-{4-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-phenyl)-prop-2-ynyl]-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester (0.155 g, 0.26 mmol) in 2:1 MeOH:H2O (3 mL) was added lithium hydroxide (0.033 g, 0.79 mmol), and the reaction was stirred overnight at room temperature. The mixture was acidified with 1N aqueous HCl and extracted with EtOAc, and the combined organic layers were dried, filtered, and concentrated. The residue was purified by preparative HPLC to give the title compound. Mass spec. data (M+H)=573.

후처리

  1. extractionextracted with EtOAc
  2. customthe combined organic layers were dried
  3. filtrationfiltered
  4. concentrationconcentrated
  5. customThe residue was purified by preparative HPLC

출처 및 근거

ORD 기록
ord-d2eb65d0c7e34f5b98fb68ed7de6226b
출처 데이터셋
uspto-grants-2013_06
특허 번호
US08455499B2

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