홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

1,2-Dichloroethane → 2-Chloro-6-{[3-(2-pyridinyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}benzonitrile

HRID 1889118
노트
인쇄 미리보기

반응식

HRID 1889118 반응식
C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.[N:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1[C:21]1[N:25]2[CH2:26][CH2:27][NH:28][CH2:29][C:24]2=[N:23][N:22]=1.[Cl:30][C:31]1[C:32]([C:40]#[N:41])=[C:33]([CH:37]=[CH:38][CH:39]=1)[C:34](O)=[O:35]>ClCCl.CN(C)C=O>[Cl:30][C:31]1[CH:39]=[CH:38][CH:37]=[C:33]([C:34]([N:28]2[CH2:27][CH2:26][N:25]3[C:21]([C:16]4[CH:17]=[CH:18][CH:19]=[CH:20][N:15]=4)=[N:22][N:23]=[C:24]3[CH2:29]2)=[O:35])[C:32]=1[C:40]#[N:41]
참가 물질실험 절차출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 111,2-DichloroethaneHCID 757711-HydroxybenzotriazoleHCID 523636372-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyridineHCID 533972953-Chloro-2-cyanobenzoic acid

생성물 1

HCID 665992832-Chloro-6-{[3-(2-pyridinyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}benzonitrile

시약·촉매·용매 2

HCID 6228
Dimethylformamide
용매
HCID 6344Dichloromethane용매

실험 절차

EDC (174 mg, 0.909 mmol) followed by HOBT (127 mg, 0.826 mmol) was added to a suspension of 3-(2-pyridinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine (I101) (166 mg, 0.826 mmol) and 3-chloro-2-cyanobenzoic acid (I125) (150 mg, 0.826 mmol) in Dichloromethane (DCM) (4 mL) and N,N-dimethylformamide (DMF) (1 mL) and the reaction was stirred at room temperature for 18 h. LCMS indicated that the major peak was the desired product. The solvent was evaporated and the residue partitioned between EtOAc and sat. NaHCO3 and the organic layer was collected. This was dried (Na2SO4) and the solvent evaporated to afford an orange oil. This was purified by MDAP to afford a pale yellow oil which solidified on standing to afford 174 mg of desired product.

출처 및 근거

ORD 기록
ord-8d549b8776e64de6a914328cdf3aa605
출처 데이터셋
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08501946B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차출처 및 근거반응 노트