tert-butyl N-(4-aminobutyl)carbamate → {4-[3-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-phenyl-amino)-propionylamino]-butyl}-carbamic acid tert-butyl ester

HRID 68189

반응식

HRID 68189 반응식
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([NH:9][CH2:10][C:11]2[N:15]([CH3:16])[C:14]3[CH:17]=[CH:18][C:19]([C:21]([N:23]([C:29]4[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=4)[CH2:24][CH2:25][C:26](O)=[O:27])=[O:22])=[CH:20][C:13]=3[N:12]=2)=[CH:5][CH:4]=1)#[N:2].F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.CN1CCOCC1.[C:64]([O:68][C:69](=[O:76])[NH:70][CH2:71][CH2:72][CH2:73][CH2:74][NH2:75])([CH3:67])([CH3:66])[CH3:65]>CN(C=O)C.O.C(OCC)(=O)C>[C:64]([O:68][C:69](=[O:76])[NH:70][CH2:71][CH2:72][CH2:73][CH2:74][NH:75][C:26](=[O:27])[CH2:25][CH2:24][N:23]([C:21]([C:19]1[CH:18]=[CH:17][C:14]2[N:15]([CH3:16])[C:11]([CH2:10][NH:9][C:6]3[CH:5]=[CH:4][C:3]([C:1]#[N:2])=[CH:8][CH:7]=3)=[N:12][C:13]=2[CH:20]=1)=[O:22])[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)([CH3:67])([CH3:65])[CH3:66]

참가 물질

8

반응물 4

HCID 4351tert-butyl N-(4-aminobutyl)carbamateHCID 79724-MethylmorpholineHCID 2733207O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateHCID 580694233-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-phenyl-amino)-propionic acid

생성물 1

HCID 66706504{4-[3-({2-[(4-Cyano-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-phenyl-amino)-propionylamino]-butyl}-carbamic acid tert-butyl ester

시약·촉매·용매 3

HCID 962Water용매HCID 6228Dimethylformamide용매HCID 8857Ethyl Acetate용매

실험 절차

A solution of the product of 1e (5.23 mmol), 2-(1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (TBTU, 5.23 mmol) and N-methyl-morpholin (5.23 mmol) in 20 mL DMF was stirred at room temperature for 30 minutes. Then (4-amino-butyl)-carbamic acid tert-butyl ester (5.23 mmol) was added and the mixture stirred at room temperature for another 24 hours. The mixture was then diluted with water (100 mL) and the product was isolated through extraction with ethyl acetate.

출처 및 근거

ORD 기록
ord-62aca8cd28694b80a8c88a8665d54cf6
출처 데이터셋
uspto-grants-2014_09
특허 번호
US08821871B2

연결된 노트

불러오는 중…