HRID337388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID96084

N-(3-Chloropropyl)dibutylamine

C11H24ClN

HCID6451240

未命名化合物

结构：CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(O)cc1

HCID11473234

(2-Butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone

C19H17NO5

结构：CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OC)cc1

HCID22595055

(2-Butyl-5-nitro-1-benzofuran-3-yl)(4-methoxyphenyl)methanone

C20H19NO5

PRODUCTS

生成物

结构：CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1

HCID10209258

2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran

C30H40N2O5

PROCEDURE

实验过程

Industrial application of this last reaction step involves difficulties, because 2-n-butyl-3-(4-methoxybenzoyl)-5-nitro-benzofuran (X) is mutagenic, and aluminum chloride is harmful for the health. The resulting 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitro-benzofuran (XI) on reaction with dibutylamino-propylchloride furnishes 2-n-butyl-3-[4-(3-dibutylamino-propoxy)benzoyl]-5-nitro-benzofuran (XII)

WORKUP

后处理

customIndustrial application of this last reaction step

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87423c71517d47aebd9d59b5b6610db8
来源数据集: uspto-grants-2014_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08889734B2
来源说明: uspto-grants-2014_11

反应 SMILES

[CH2:1]([C:5]1[O:6][C:7]2[CH:23]=[CH:22][C:21]([N+:24]([O-:26])=[O:25])=[CH:20][C:8]=2[C:9]=1[C:10](=[O:19])[C:11]1[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=1)[CH2:2][CH2:3][CH3:4].[Cl-].[Al+3].[Cl-].[Cl-].C(C1OC2C=CC([N+]([O-])=O)=CC=2C=1C(=O)C1C=CC(O)=CC=1)CCC.[CH2:56]([N:60]([CH2:65][CH2:66]CCl)[CH2:61][CH2:62][CH2:63][CH3:64])[CH2:57][CH2:58][CH3:59]>>[CH2:1]([C:5]1[O:6][C:7]2[CH:23]=[CH:22][C:21]([N+:24]([O-:26])=[O:25])=[CH:20][C:8]=2[C:9]=1[C:10](=[O:19])[C:11]1[CH:12]=[CH:13][C:14]([O:17][CH2:18][CH2:66][CH2:65][N:60]([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:56][CH2:57][CH2:58][CH3:59])=[CH:15][CH:16]=1)[CH2:2][CH2:3][CH3:4]