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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Picolinic acid → HCID 66803437, 화합물

HRID 341429
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HRID 341429 반응식
C(N(CC)CC)C.N1(O)C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.[N:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[C:36]([OH:38])=O.[NH2:39][C:40]1[N:45]=[C:44]([NH:46][C:47]2[CH:52]=[CH:51][CH:50]=[C:49]([Cl:53])[C:48]=2[F:54])[N:43]=[C:42]([C:55](=[N:57]O)[NH2:56])[N:41]=1>CN(C=O)C>[Cl:53][C:49]1[C:48]([F:54])=[C:47]([NH:46][C:44]2[N:45]=[C:40]([NH2:39])[N:41]=[C:42]([C:55]3[N:56]=[C:36]([C:31]4[CH:32]=[CH:33][CH:34]=[CH:35][N:30]=4)[O:38][N:57]=3)[N:43]=2)[CH:52]=[CH:51][CH:50]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 1018Picolinic acidHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 136377136HCID 136377136, 화합물

생성물 1

HCID 66803437HCID 66803437, 화합물수율 17%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

Triethylamine (1.10 mL, 7.58 mmol) and 1H-benzotriazol-1-ol (0.77 g, 5.05 mmol) were added to a solution of N-[3-(dimethylamino)propyl]-N′-ethylcarbodiimide hydrochloride (0.97 g, 5.05 mmol) in DMF (10 mL) and the mixture was stirred for 20 min at room temperature. Picolinic acid (0.62 g, 5.05 mmol) was added and the mixture was stirred for 30 min at room temperature. 4-Amino-6-[(3-chloro-2-fluorophenyl)amino]-N′-hydroxy-1,3,5-triazine-2-carboximidamide (prepared in an analogous manner to Intermediate 73, 1.50 g, 5.05 mmol) was added and the mixture was stirred at room temperature overnight before being heated to 85 C for approximately 24 h. The crude compound was purified over Ambersep resin but the impurities remained. The residue was then successively washed with EtOAc, acetone and MeOH and finally hot MeOH to afford the title compound (330 mg, 17%).

후처리

  1. stirringthe mixture was stirred for 30 min at room temperature
  2. additionwas added
  3. stirringthe mixture was stirred at room temperature overnight
  4. temperaturebefore being heated to 85 C for approximately 24 h
  5. customThe crude compound was purified over Ambersep resin
  6. washThe residue was then successively washed with EtOAc, acetone and MeOH and finally hot MeOH

출처 및 근거

ORD 기록
ord-f924023dc9be4756ba4aedddc1759c9b
출처 데이터셋
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08895733B2

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