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1-Hydroxybenzotriazole → Tert-butyl 4-(2-((6-(2-cyanophenyl)-2-(3-fluorophenethylamino)nicotinamido)methyl)pyrrolidin-1-yl)-4-oxobutylcarbamate

HRID 2080285
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HRID 2080285 반응식
Cl.[C:2]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[C:10]1[CH:24]=[CH:23][C:13]([C:14]([NH:16][CH2:17][CH:18]2[CH2:22][CH2:21][CH2:20][NH:19]2)=[O:15])=[C:12]([NH:25][CH2:26][CH2:27][C:28]2[CH:33]=[CH:32][CH:31]=[C:30]([F:34])[CH:29]=2)[N:11]=1)#[N:3].[C:35]([O:39][C:40]([NH:42][CH2:43][CH2:44][CH2:45][C:46](O)=[O:47])=[O:41])([CH3:38])([CH3:37])[CH3:36].C1C=CC2N(O)N=NC=2C=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>CN(C=O)C>[C:2]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[C:10]1[CH:24]=[CH:23][C:13]([C:14]([NH:16][CH2:17][CH:18]2[CH2:22][CH2:21][CH2:20][N:19]2[C:46](=[O:47])[CH2:45][CH2:44][CH2:43][NH:42][C:40](=[O:41])[O:39][C:35]([CH3:36])([CH3:38])[CH3:37])=[O:15])=[C:12]([NH:25][CH2:26][CH2:27][C:28]2[CH:33]=[CH:32][CH:31]=[C:30]([F:34])[CH:29]=2)[N:11]=1)#[N:3]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2948944-(((Tert-butoxy)carbonyl)amino)butanoic acidHCID 2733084Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 67101158HCID 67101158, 화합물

생성물 1

HCID 57542726
Tert-butyl 4-(2-((6-(2-cyanophenyl)-2-(3-fluorophenethylamino)nicotinamido)methyl)pyrrolidin-1-yl)-4-oxobutylcarbamate
수율 65%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

To a mixture of 6-(2-cyanophenyl)-2-(3-fluorophenethylamino)-N-(pyrrolidin-2-ylmethyl)nicotinamide hydrochloride (95 mg, 0.2 mmol), 4-(tert-butoxycarbonylamino)butanoic acid (61 mg, 0.3 mmol), HOBT (41 mg, 0.3 mmol), and HBTU (114 mg, 0.3 mmol) were added DMF (1.0 mL) and DIEA (0.1 mL, 0.6 mmol). The reaction mixture was stirred at r.t. for 1 h. LC/MS indicated the reaction was complete. The reaction mixture was then filtered and the filtrate was purified on RP-HPLC using a mixture of acetonitrile and water to give tert-butyl 4-(2-((6-(2-cyanophenyl)-2-(3-fluorophenethylamino)nicotinamido)methyl)pyrrolidin-1-yl)-4-oxobutylcarbamate (81.2 mg, 65%). LRMS (M+H+) m/z 629.2.

후처리

  1. filtrationThe reaction mixture was then filtered
  2. customthe filtrate was purified on RP-HPLC
  3. additiona mixture of acetonitrile and water

출처 및 근거

ORD 기록
ord-07140d22ddf74e77983fa96bd6a68676
출처 데이터셋
uspto-grants-2011_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07932270B2

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