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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
ノート
印刷プレビュー

反応式

HRID 1889118 の反応式
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]
参加物実験手順出典と根拠反応ノート

参加物

7

反応物 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

生成物 1

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

試薬・触媒・溶媒 2

HCID 6228
Dimethylformamide
溶媒
HCID 6344Dichloromethane溶媒

実験手順

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.

出典と根拠

ORDレコード
ord-8d549b8776e64de6a914328cdf3aa605
出典データセット
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08501946B2

反応ノート

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