HRID10170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6570

Methyl vinyl ketone

C4H6O

结构：CC(=O)CCCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1

HCID58681862

未命名化合物

PRODUCTS

生成物

结构：CC(=O)CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1

HCID58681860

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1140

Toluene

C7H8

PROCEDURE

实验过程

To a solution of (2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(1H-indol-3-ylmethyl)-4-(4-pentanon-1-yl)piperazine (1.37 g) in toluene (15 mL) was added drop-wise methyl vinyl ketone (0.3 g). After 2.5 h at room temperature the solution was concentrated to afford crude (2R)-1-[3,5-bis(trifluoromethyl)-benzoyl]-2-(1H-indol-3-ylmethyl)-4-(3-butanon-1-yl)piperazine which was used as such. Rf 0.55 (CH2Cl2/MeOH 95/5).

WORKUP

后处理

concentrationAfter 2.5 h at room temperature the solution was concentrated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-755c0c4338ec42bd89c9aaaf59b8e5e7
来源数据集: uspto-grants-2006_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07094779B2
来源说明: uspto-grants-2006_08

反应 SMILES

[F:1][C:2]([F:38])([F:37])[C:3]1[CH:4]=[C:5]([CH:30]=[C:31]([C:33]([F:36])([F:35])[F:34])[CH:32]=1)[C:6]([N:8]1[CH2:13][CH2:12][N:11]([CH2:14]CCC(=O)C)[CH2:10][C@H:9]1[CH2:20][C:21]1[C:29]2[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=2)[NH:23][CH:22]=1)=[O:7].[CH:39]([C:41]([CH3:43])=[O:42])=C>C1(C)C=CC=CC=1>[F:35][C:33]([F:36])([F:34])[C:31]1[CH:30]=[C:5]([CH:4]=[C:3]([C:2]([F:38])([F:1])[F:37])[CH:32]=1)[C:6]([N:8]1[CH2:13][CH2:12][N:11]([CH2:14][CH2:39][C:41](=[O:42])[CH3:43])[CH2:10][C@H:9]1[CH2:20][C:21]1[C:29]2[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=2)[NH:23][CH:22]=1)=[O:7]