Trifluoroacetic acid → 2-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine

HRID 1364126노트

반응식

HRID 1364126 반응식
[CH3:1][C:2]1[N:6]=[C:5]([C:7]2[CH:12]=[CH:11][C:10]([N:13]3[CH:22]=[C:21]4[C:15]([CH2:16][CH2:17][N:18](C(OC(C)(C)C)=O)[CH2:19][CH2:20]4)=[N:14]3)=[CH:9][CH:8]=2)[O:4][N:3]=1.FC(F)(F)C(O)=O>ClCCl.CO>[CH3:1][C:2]1[N:6]=[C:5]([C:7]2[CH:12]=[CH:11][C:10]([N:13]3[CH:22]=[C:21]4[C:15]([CH2:16][CH2:17][NH:18][CH2:19][CH2:20]4)=[N:14]3)=[CH:9][CH:8]=2)[O:4][N:3]=1

참가 물질

5

반응물 2

HCID 6422Trifluoroacetic acidHCID 669308431,1-Dimethylethyl 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate

생성물 1

HCID 669307922-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)phenyl]-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine

시약·촉매·용매 2

HCID 887Methanol용매HCID 6344Dichloromethane용매

실험 절차

To a solution of 1,1-dimethylethyl 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate (may be prepared as described in Description 34) (159 mg, 0.40 mmol) in dichloromethane (12 ml) was added trifluoroacetic acid (6 ml). The resulting mixture was stirred at room temperature for 30 minutes and then diluted with methanol. Reaction was purified by SCX, eluting with methanol and then 2M ammonia/methanol. The basic fractions were combined and the solvent evaporated in vacuo to afford the title compound (D35). MS (ES+) m/e 296 [M+H]+.

후처리

  1. customReaction
  2. customwas purified by SCX
  3. washeluting with methanol
  4. customthe solvent evaporated in vacuo

출처 및 근거

ORD 기록
ord-b473c6caec1c4609b474a4b454f6d61d
출처 데이터셋
uspto-grants-2011_02
특허 번호
US07888347B2

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