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Hydrochloric Acid → HCID 57691194, 화합물

HRID 219163
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HRID 219163 반응식
C1(NC(C2C=CC3N(C(COC4C5C(=CC(OC)=CC=5)N=CC=4)=NN=3)C=2)=O)CC1.[CH3:30][O:31][C:32]1[CH:41]=[C:40]2[C:35]([C:36]([O:42][CH2:43][C:44]3[N:48]4[CH:49]=[C:50]([C:53]([NH:55][C@H:56]5[CH2:60][CH2:59][N:58]([C:61]([O:63][C:64]([CH3:67])([CH3:66])[CH3:65])=[O:62])[CH2:57]5)=[O:54])[CH:51]=[CH:52][C:47]4=[N:46][N:45]=3)=[CH:37][CH:38]=[N:39]2)=[CH:34][CH:33]=1.Cl.C(=O)([O-])[O-].[K+].[K+]>CO>[CH3:30][O:31][C:32]1[CH:41]=[C:40]2[C:35]([C:36]([O:42][CH2:43][C:44]3[N:48]4[CH:49]=[C:50]([C:53]([NH:55][C@H:56]5[CH2:60][CH2:59][N:58]([C:61]([O:63][C:64]([CH3:67])([CH3:66])[CH3:65])=[O:62])[CH2:57]5)=[O:54])[CH:51]=[CH:52][C:47]4=[N:46][N:45]=3)=[CH:37][CH:38]=[N:39]2)=[CH:34][CH:33]=1.[CH3:30][O:31][C:32]1[CH:41]=[C:40]2[C:35]([C:36]([O:42][CH2:43][C:44]3[N:48]4[CH:49]=[C:50]([C:53]([NH:55][C@H:56]5[CH2:60][CH2:59][NH:58][CH2:57]5)=[O:54])[CH:51]=[CH:52][C:47]4=[N:46][N:45]=3)=[CH:37][CH:38]=[N:39]2)=[CH:34][CH:33]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 313Hydrochloric AcidHCID 11430Potassium CarbonateHCID 57690926N-cyclopropyl-3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamideHCID 86630266HCID 86630266, 화합물

생성물 2

HCID 57691194HCID 57691194, 화합물수율 194.2%
HCID 86630266
HCID 86630266, 화합물

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

(S)-tert-Butyl 3-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamido)pyrrolidine-1-carboxylate was prepared as previously described for N-cyclopropyl-3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide. (S)-tert-Butyl 3-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamido)pyrrolidine-1-carboxylate (0.050 g, 0.096 mmol) was dissolved in methanol (1.5 mL) then added concentrated hydrochloric acid (0.400 ml, 4.8 mmol). The reaction mixture was stirred at room temperature for 5 hours then concentrated under vacuum. The remaining solid was dissolved in methanol (1 mL) then added potassium carbonate (0.062 g, 0.45 mmol). The reaction mixture was stirred at room temperature for 1 hour and concentrated under vacuum. The sample was purified by flash chromatography eluting with 10%-15% 7N ammonia in methanol/dichloromethane to afford (S)-3-((7-methoxyquinolin-4-yloxy)methyl)-N-(pyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (0.039 g, 97% yield) as a pale yellow solid. MS (ESI pos. ion) m/z: 419.2 (MH+).

후처리

  1. concentrationthen concentrated under vacuum
  2. dissolutionThe remaining solid was dissolved in methanol (1 mL)
  3. stirringThe reaction mixture was stirred at room temperature for 1 hour
  4. concentrationconcentrated under vacuum
  5. customThe sample was purified by flash chromatography
  6. washeluting with 10%-15% 7N ammonia in methanol/dichloromethane

출처 및 근거

ORD 기록
ord-768aeabccfdd42bb82361f6eba6cf1ac
출처 데이터셋
uspto-grants-2012_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08198448B2

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