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Hydrochloric Acid → N2-((4-chloro-1H-benzo[d]imidazol-5-yl)methyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-N2-methylpyrimidine-2,4-diamine

HRID 475263
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인쇄 미리보기

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HRID 475263 반응식
Cl[C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:13]=[C:12]([CH:14]3[CH2:16][CH2:15]3)[NH:11][N:10]=2)[C:5]([F:17])=[CH:4][N:3]=1.Cl.[Cl:19][C:20]1[C:28]2[N:27]=[CH:26][N:25](C3CCCCO3)[C:24]=2[CH:23]=[CH:22][C:21]=1[CH2:35][NH:36][CH3:37].CCN(C(C)C)C(C)C>CCCCO>[Cl:19][C:20]1[C:28]2[N:27]=[CH:26][NH:25][C:24]=2[CH:23]=[CH:22][C:21]=1[CH2:35][N:36]([CH3:37])[C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:13]=[C:12]([CH:14]3[CH2:16][CH2:15]3)[NH:11][N:10]=2)[C:5]([F:17])=[CH:4][N:3]=1
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참가 물질

6

반응물 4

HCID 313Hydrochloric AcidHCID 81531DiisopropylethylamineHCID 581693062-chloro-N-(3-cyclopropyl-1H-pyrazol-5-yl)-5-fluoropyrimidin-4-amineHCID 712721921-(4-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-benzo[d]imidazol-5-yl)-N-methylmethanamine

생성물 1

HCID 71528974N2-((4-chloro-1H-benzo[d]imidazol-5-yl)methyl)-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-N2-methylpyrimidine-2,4-diamine

시약·촉매·용매 1

HCID 2631-Butanol용매

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온도
120 °C

실험 절차

A vial was charged with 2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoropyrimidin-4-amine (55, 95 mg, 0.37 mmol, CASRN 854434-98-5), the bis-HCl salt of 220 (185 mg, 0.52 mmol), DIPEA (0.33 mL) and n-BuOH (0.8 mL), sealed and heated at 120° C. for 96 h. The reaction mixture was concentrated in vacuo. The crude mixture was purified by preparative HPLC to afford 93.2 mg (60%) of I-86: MS (ESI) m/z=413.1 [M+1]+.

후처리

  1. concentrationThe reaction mixture was concentrated in vacuo
  2. customThe crude mixture was purified by preparative HPLC
  3. customto afford 93.2 mg (60%) of I-86

출처 및 근거

ORD 기록
ord-73b404a61bf54380b08d584325c1aef0
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08637537B2

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