1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → HCID 178467055、化合物

HRID 589197ノート

反応式

HRID 589197 の反応式
[NH2:1][C:2]1[N:7]2[N:8]=[CH:9][C:10]([C:11]3[CH:12]=[N:13][C:14]([C:17]4[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=4)=[CH:15][CH:16]=3)=[C:6]2[N:5]=[C:4]([N:23]2[CH2:29][CH:28]3[NH:30][CH:25]([CH2:26][CH2:27]3)[CH2:24]2)[C:3]=1[C:31](=[O:33])[CH3:32].[N:34]1[N:35]=[C:36]([C:39](O)=[O:40])[NH:37][CH:38]=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>CN(C=O)C>[N:34]1[N:35]=[C:36]([C:39]([N:30]2[CH:28]3[CH2:27][CH2:26][CH:25]2[CH2:24][N:23]([C:4]2[C:3]([C:31](=[O:33])[CH3:32])=[C:2]([NH2:1])[N:7]4[N:8]=[CH:9][C:10]([C:11]5[CH:12]=[N:13][C:14]([C:17]6[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=6)=[CH:15][CH:16]=5)=[C:6]4[N:5]=2)[CH2:29]3)=[O:40])[NH:37][CH:38]=1

参加物

7

反応物 5

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 672945811-(7-Amino-5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl)ethanoneHCID 178524936HCID 178524936、化合物

生成物 1

HCID 178467055HCID 178467055、化合物

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

A mixture of 1-(7-amino-5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl)ethanone (11 mg, 0.025 mmol), 4H-1,2,4-triazole-3-carboxylic acid (3.1 mg, 0.027 mmol), EDCI (9.5 mg, 0.05 mmol), HOBt (6.75 mg, 0.05 mmol) and DIEA (26 ul, 0.15 mmol) in DMF (1 ml) was stirred at room temperature overnight. Purification with prep-LC provided 1-(5-(8-(4H-1,2,4-triazole-3-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl)-7-amino-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl)ethanone, LCMS tR=3.31 Min (10 min run, UV 254 nm). Mass calculated for M+H 535.2, observed LC/MS m/z 534.95 (M+H).

後処理

  1. customPurification

出典と根拠

ORDレコード
ord-44f60645d2604f90b0446f6b219da8fb
出典データセット
uspto-grants-2016_01
特許番号
US09227971B2

反応ノート

読み込み中…