1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → HCID 178467055, 화합물

HRID 589197노트

반응식

HRID 589197 반응식
[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

참가 물질

7

반응물 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, 화합물

생성물 1

HCID 178467055HCID 178467055, 화합물

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

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).

후처리

  1. customPurification

출처 및 근거

ORD 기록
ord-44f60645d2604f90b0446f6b219da8fb
출처 데이터셋
uspto-grants-2016_01
특허 번호
US09227971B2

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