Diisopropylethylamine → HCID 178510106, 화합물

HRID 474814노트

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HRID 474814 반응식
[N:1]1[CH:6]=[C:5]([CH2:7][C:8]2[C:9](=[O:15])[NH:10][C:11](=[S:14])[NH:12][CH:13]=2)[CH:4]=[N:3][CH:2]=1.CCN(C(C)C)C(C)C.[Cl:25][C:26]1[CH:42]=[CH:41][C:29]([O:30][C:31]2[CH:38]=[CH:37][C:36]([CH2:39]Cl)=[CH:35][C:32]=2[C:33]#[N:34])=[CH:28][C:27]=1[C:43]([F:46])([F:45])[F:44]>C(Cl)Cl>[Cl:25][C:26]1[CH:42]=[CH:41][C:29]([O:30][C:31]2[CH:38]=[CH:37][C:36]([CH2:39][S:14][C:11]3[NH:12][CH:13]=[C:8]([CH2:7][C:5]4[CH:6]=[N:1][CH:2]=[N:3][CH:4]=4)[C:9](=[O:15])[N:10]=3)=[CH:35][C:32]=2[C:33]#[N:34])=[CH:28][C:27]=1[C:43]([F:44])([F:45])[F:46]

참가 물질

5

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HCID 81531DiisopropylethylamineHCID 109660395-(Pyrimid-5-ylmethyl)-2-thiouracilHCID 677735002-(4-Chloro-3-(trifluoromethyl)phenoxy)-5-(chloromethyl)benzonitrile

생성물 1

HCID 178510106HCID 178510106, 화합물수율 43.2%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

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온도
60 °C

실험 절차

To a suspension of 5-(5-pyrimidinylmethyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone (35.0 mg, 0.159 mmol) and DIPEA (0.08 mL, 0.458 mmol) in DCM (1 mL) was added 2-(4-chloro-3-(trifluoromethyl)phenoxy)-5-(chloromethyl)benzonitrile (50 mg, 0.144 mmol). The solution was heated at 60° C. overnight. Purification via MDAP then afforded the title compound (33 mg, 43.1% yield). LCMS: rt=3.28 min, [M+H+]=531

후처리

  1. customPurification via MDAP

출처 및 근거

ORD 기록
ord-514a7be48c1f4fb49d3715f142a0503c
출처 데이터셋
uspto-grants-2014_01
특허 번호
US08637536B2

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