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Hydrochloric Acid → HCID 44539934, 화합물

HRID 1695795
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HRID 1695795 반응식
[NH2:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:10]=[C:11]([NH:24][C:25]([C:27]3[N:28]=[C:29]([CH3:32])[S:30][CH:31]=3)=[O:26])[C:12]3[C:16]([CH:17]=2)=[N:15][N:14](C2CCCCO2)[CH:13]=3)[CH:5]=[N:6][C:7]=1[Cl:8].[CH3:33][C:34]1[CH:35]=[CH:36][C:37]([O:44][CH3:45])=[C:38]([S:40](Cl)(=[O:42])=[O:41])[CH:39]=1.Cl>N1C=CC=CC=1.CN(C1C=CN=CC=1)C>[Cl:8][C:7]1[N:6]=[CH:5][C:4]([C:9]2[CH:17]=[C:16]3[C:12]([CH:13]=[N:14][NH:15]3)=[C:11]([NH:24][C:25]([C:27]3[N:28]=[C:29]([CH3:32])[S:30][CH:31]=3)=[O:26])[CH:10]=2)=[CH:3][C:2]=1[NH:1][S:40]([C:38]1[CH:39]=[C:34]([CH3:33])[CH:35]=[CH:36][C:37]=1[O:44][CH3:45])(=[O:42])=[O:41]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 3

HCID 313Hydrochloric AcidHCID 1451496-Methoxy-m-toluenesulfonyl chloride3회HCID 58255741N-[6-(5-Amino-6-chloro-3-pyridinyl)-2-(tetrahydro-2H-pyran-2-yl)-2H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide

생성물 1

HCID 44539934HCID 44539934, 화합물수율 64.3%

시약·촉매·용매 2

HCID 14284
4-(Dimethylamino)pyridine
촉매
HCID 1049Pyridine용매

실험 절차

N-[6-(5-Amino-6-chloro-3-pyridinyl)-2-(tetrahydro-2H-pyran-2-yl)-2H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide (50 mg) was dissolved in pyridine (1 ml) and 5-methyl-2-(methyloxy)benzenesulfonyl chloride (35 mg) was added. The reaction was stirred at RT overnight. Further 5-methyl-2-(methyloxy)benzenesulfonyl chloride (35 mg) was added and the reaction was stirred at RT for 4 h. DMAP (3 mg) followed by 5-methyl-2-(methyloxy)benzenesulfonyl chloride (20 mg) was added and the reaction was stirred at RT overnight. The reaction was neutralised with 2M HCl (aq) and extracted into DCM. The DCM was evaporated and the residue was dissolved in DMSO:methanol (1 ml, 8:1, v/v) and purified by MDAP (method E). The desired fraction was evaporated to dryness and methanol (3 ml) and a few drops of 2M HCl (aq) were added and the reaction stirred for 2 h. The reaction was evaporated to dryness to give title compound (39 mg).

후처리

  1. stirringthe reaction was stirred at RT for 4 h
  2. additionwas added
  3. stirringthe reaction was stirred at RT overnight
  4. extractionextracted into DCM
  5. customThe DCM was evaporated
  6. dissolutionthe residue was dissolved in DMSO
  7. custommethanol (1 ml, 8:1, v/v) and purified by MDAP (method E)
  8. customThe desired fraction was evaporated to dryness and methanol (3 ml) and a few drops of 2M HCl (aq)
  9. additionwere added
  10. stirringthe reaction stirred for 2 h
  11. customThe reaction was evaporated to dryness

출처 및 근거

ORD 기록
ord-81b7af10fbd046d293c36bb2d61f6da6
출처 데이터셋
uspto-grants-2012_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08163743B2

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