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Hydrochloric Acid → 6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-amine Dihydrochloride

HRID 541750
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인쇄 미리보기

반응식

HRID 541750 반응식
C(OC([NH:8][C:9]1[CH:14]=[CH:13][C:12]([NH:15][C:16]2[C:21]([Cl:22])=[CH:20][N:19]=[C:18](Cl)[N:17]=2)=[CH:11][C:10]=1[CH2:24][CH2:25][C:26]1[CH:27]=[C:28]([NH:32]C(=O)OC(C)(C)C)[CH:29]=[CH:30][CH:31]=1)=O)(C)(C)C.[ClH:40].O1CCOCC1>C(#N)C.O.CC(O)CC>[ClH:22].[ClH:40].[Cl:22][C:21]1[CH:20]=[N:19][C:18]2[NH:32][C:28]3[CH:29]=[CH:30][CH:31]=[C:26]([CH:27]=3)[CH2:25][CH2:24][C:10]3[CH:11]=[C:12]([NH:15][C:16]=1[N:17]=2)[CH:13]=[CH:14][C:9]=3[NH2:8]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 57962263tert-Butyl [3-(2-{2-[(tert-butoxycarbonyl)amino]-5-[(2,5-dichloropyrimidin-4-yl)amino]phenyl}ethyl)phenyl]carbamate

생성물 1

HCID 668960506-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-amine Dihydrochloride수율 84%

시약·촉매·용매 3

HCID 962
Water
용매
HCID 6342Acetonitrile용매
HCID 6568(+-)-2-Butanol용매

실험 절차

A solution of tert-butyl [3-(2-{2-[(tert-butoxycarbonyl)amino]-5-[(2,5-dichloropyrimidin-4-yl)amino]phenyl}ethyl)phenyl]carbamate (4.70 g, 8.18 mmol) in acetonitrile (750 mL), water (75 mL) and 2-butanol (1.0 mL) was treated with 4.0 M of hydrogen chloride in 1,4-dioxane (7.2 mL, 28.6 mmol) and refluxed for 20 hours. The reaction mixture was concentrated and the tan solid was triturated with dichloromethane and methanol to give the desired product (2.83 g, 84%). LCMS calculated for C18H17ClN5(M+H)+: m/z=338.1. 1H NMR (400 MHz, DMSO-d6): δ 8.37 (s, 1H), 7.89 (s, 1H), 7.79 (s, 1H), 7.59 (m, 1H), 7.43 (m, 3H), 7.36 (d, 1H), 7.17 (m, 2H), 6.91 (dd, 2H), 3.08 (d, 4H).

후처리

  1. temperaturerefluxed for 20 hours
  2. concentrationThe reaction mixture was concentrated
  3. customthe tan solid was triturated with dichloromethane and methanol

출처 및 근거

ORD 기록
ord-936308a146e140a19aa23433aac4f109
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08871753B2

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