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Diisopropylethylamine → Ethyl 6-chloro-7-(4-(1-(3-chlorophenyl)pyrrolidin-3-ylcarbamoyl)phenoxy)chroman-4-carboxylate

HRID 510710
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HRID 510710 반응식
Cl.Cl.[Cl:3][C:4]1[CH:5]=[C:6]([N:10]2[CH2:14][CH2:13][CH:12]([NH2:15])[CH2:11]2)[CH:7]=[CH:8][CH:9]=1.C(N(C(C)C)C(C)C)C.[Cl:25][C:26]1[CH:27]=[C:28]2[C:33](=[CH:34][C:35]=1[O:36][C:37]1[CH:45]=[CH:44][C:40]([C:41](O)=[O:42])=[CH:39][CH:38]=1)[O:32][CH2:31][CH2:30][CH:29]2[C:46]([O:48][CH2:49][CH3:50])=[O:47].Cl.CN(C)CCCN=C=NCC.ON1C2N=CC=CC=2N=N1>ClCCl>[Cl:25][C:26]1[CH:27]=[C:28]2[C:33](=[CH:34][C:35]=1[O:36][C:37]1[CH:45]=[CH:44][C:40]([C:41](=[O:42])[NH:15][CH:12]3[CH2:13][CH2:14][N:10]([C:6]4[CH:7]=[CH:8][CH:9]=[C:4]([Cl:3])[CH:5]=4)[CH2:11]3)=[CH:39][CH:38]=1)[O:32][CH2:31][CH2:30][CH:29]2[C:46]([O:48][CH2:49][CH3:50])=[O:47]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 81531DiisopropylethylamineHCID 181649HOAtHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 582443954-(6-Chloro-4-(ethoxycarbonyl)chroman-7-yloxy)benzoic acidHCID 670810081-(3-Chlorophenyl)pyrrolidin-3-amine dihydrochloride

생성물 1

HCID 67167107
Ethyl 6-chloro-7-(4-(1-(3-chlorophenyl)pyrrolidin-3-ylcarbamoyl)phenoxy)chroman-4-carboxylate
수율 95%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

Crude 1-(3-chlorophenyl)pyrrolidin-3-amine dihydrochloride (53.7 mg, 0.199 mmol) in dichloromethane was treated sequentially with N-ethyl-N-isopropylpropan-2-amine (78.6 μl, 0.451 mmol), 4-(6-chloro-4-(ethoxycarbonyl)chroman-7-yloxy)benzoic acid (Preparation 1) (50 mg, 0.133 mmol), 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (30.5 mg, 0.159 mmol), and 1-hydroxy-7-azabenzotriazole (5.42 mg, 0.0398 mmol) at ambient temperature. After 5 hours, the reaction was applied directly to a silica gel column. Elution with a gradient of 20-70% ethyl acetate-hexanes provided the title compound (70 mg, 0.126 mmol, 95.0% yield) as a solid.

후처리

  1. washElution with a gradient of 20-70% ethyl acetate-hexanes

출처 및 근거

ORD 기록
ord-a516d8c1dfa94bfb9b24c78e9c847ee6
출처 데이터셋
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09096567B2

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