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Methyl chloroformate → Trifluoroacetic acid

HRID 707133
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인쇄 미리보기

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HRID 707133 반응식
[OH:1][C:2]([C:4]([F:7])([F:6])[F:5])=[O:3].OC(C(F)(F)F)=O.[CH:15]12[O:22][CH:19]([CH2:20][CH2:21]1)[CH2:18][N:17]([C:23]1[N:28]=[C:27]([N:29]3[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]3)[N:26]=[C:25]([C:35]3[CH:40]=[CH:39][C:38]([NH:41][C:42]([NH:44][C:45]4[CH:50]=[CH:49][N:48]=[CH:47][CH:46]=4)=[O:43])=[CH:37][CH:36]=3)[N:24]=1)[CH2:16]2.C(N(CC)CC)C.Cl[C:59]([O:61][CH3:62])=[O:60]>ClCCl.O1CCCC1>[CH:19]12[O:22][CH:15]([CH2:21][CH2:20]1)[CH2:16][N:17]([C:23]1[N:24]=[C:25]([C:35]3[CH:36]=[CH:37][C:38]([NH:41][C:42](=[O:43])[NH:44][C:45]4[CH:46]=[CH:47][N:48]=[CH:49][CH:50]=4)=[CH:39][CH:40]=3)[N:26]=[C:27]([N:29]3[CH2:34][CH2:33][N:32]([C:59]([O:61][CH3:62])=[O:60])[CH2:31][CH2:30]3)[N:28]=1)[CH2:18]2.[C:2]([OH:3])([C:4]([F:7])([F:6])[F:5])=[O:1]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 3

HCID 6586Methyl chloroformateHCID 8471TriethylamineHCID 130403997HCID 130403997, 화합물

생성물 2

HCID 6422Trifluoroacetic acidHCID 44548797HCID 44548797, 화합물

시약·촉매·용매 2

HCID 6344Dichloromethane용매
HCID 8028
Tetrahydrofuran
용매

실험 절차

1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(piperazin-1-yl)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea-2TFA (75 mg) in dichloromethane (2 mL), tetrahydrofuran (2 mL), and triethylamine (1 mL) was treated with methyl chloroformate (0.10 mL). The mixture was concentrated to dryness and purified on RP-HPLC to give the title compound as its TFA salt. MS (ES+) 546.3 (M+H)+

후처리

  1. concentrationThe mixture was concentrated to dryness
  2. custompurified on RP-HPLC

출처 및 근거

ORD 기록
ord-9c09c91bad8d4550b67588e15c8be073
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09174963B2

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