Diisopropylethylamine → HCID 178488012, 화합물

HRID 1367970노트

반응식

HRID 1367970 반응식
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[C:3]([C:11]([NH:13][C:14]2[NH:18][C:17]3[CH:19]=[CH:20][C:21]([O:26][CH3:27])=[C:22]([C:23](O)=[O:24])[C:16]=3[N:15]=2)=[O:12])[N:2]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.Cl.[CH3:62][S:63]([C:66]1[CH:73]=[CH:72][C:69]([CH2:70][NH2:71])=[CH:68][CH:67]=1)(=[O:65])=[O:64]>CN(C=O)C.[Cl-].[Na+].O>[CH3:62][S:63]([C:66]1[CH:73]=[CH:72][C:69]([CH2:70][NH:71][C:23]([C:22]2[C:16]3[NH:15][C:14]([NH:13][C:11]([C:3]4[N:2]=[CH:1][C:10]5[C:5]([CH:4]=4)=[CH:6][CH:7]=[CH:8][CH:9]=5)=[O:12])=[N:18][C:17]=3[CH:19]=[CH:20][C:21]=2[O:26][CH3:27])=[O:24])=[CH:68][CH:67]=1)(=[O:64])=[O:65]

참가 물질

7

반응물 4

HCID 81531DiisopropylethylamineHCID 27292694-Methylsulfonylbenzylamine hydrochlorideHCID 2733084Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 669407622-[(isoquinoline-3-carbonyl)-amino]-5-methoxy-1H-benzoimidazole-4-carboxylic acid

생성물 1

HCID 178488012HCID 178488012, 화합물수율 47.2%

시약·촉매·용매 2

HCID 6228Dimethylformamide용매HCID 57417360Sodium chloride; water용매

실험 절차

33 mg (0.1 mmol) of 2-[(isoquinoline-3-carbonyl)-amino]-5-methoxy-1H-benzoimidazole-4-carboxylic acid and 100 mg (0.25 mmol) of HBTU were dissolved in 1.0 mL of DMF and 0.4 mL of DIEA was treated with 32 mg (0.15 mmol) of 4-methanesulfonyl-benzylamine hydrochloride as described in general procedure A. Upon completion, the reaction was diluted with brine. The resulting solid was filtered, washed with water and EtOAc, and dried under vacuum to produce 25 mg (47%) of isoquinoline-3-carboxylic acid [7-(4-methanesulfonyl-benzylcarbamoyl)-6-methoxy-1H-benzoimidazol-2-yl]-amide. LCMS: 530 (M+1)+.

후처리

  1. filtrationThe resulting solid was filtered
  2. washwashed with water and EtOAc
  3. customdried under vacuum

출처 및 근거

ORD 기록
ord-4bea3aca54084f6caf90d171b1a8b426
출처 데이터셋
uspto-grants-2011_02
특허 번호
US07893267B2

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