HRID387063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70544

1-(2,4-Xylyl)piperazine

C12H18N2

HCID81531

Diisopropylethylamine

C8H19N

HCID5049666

Sodium triacetoxyborohydride

C6H10BNaO6

结构：O=CCCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1

HCID86639922

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N2CCN(CCCc3cc(-c4ccc(Cl)cc4)n(-c4ccccc4)n3)CC2)c(C)c1

HCID25066915

未命名化合物

PROCEDURE

实验过程

99 mg (74%) of target compound was obtained by using a method same as in Example 1 by using 3-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-propanal (80 mg, 0.257 mmol), 1-(2,4-dimethylphenyl)piperazine (49 mg, 0.257 mmol), DIPEA (0.070 mL, 0.386 mmol) and NaBH(OAc)3 (163 mg, 0.771 mmol).

WORKUP

后处理

custom99 mg (74%) of target compound was obtained

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ea13000808b4257b5c59254e47e011f
来源数据集: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08372844B2
来源说明: uspto-grants-2013_02

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[N:11]=[C:10]([CH2:19][CH2:20][CH:21]=O)[CH:9]=2)=[CH:4][CH:3]=1.[CH3:23][C:24]1[CH:29]=[C:28]([CH3:30])[CH:27]=[CH:26][C:25]=1[N:31]1[CH2:36][CH2:35][NH:34][CH2:33][CH2:32]1.CCN(C(C)C)C(C)C.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[N:11]=[C:10]([CH2:19][CH2:20][CH2:21][N:34]3[CH2:35][CH2:36][N:31]([C:25]4[CH:26]=[CH:27][C:28]([CH3:30])=[CH:29][C:24]=4[CH3:23])[CH2:32][CH2:33]3)[CH:9]=2)=[CH:4][CH:3]=1