HRID2057662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID10442

1,3-Propanediol

C3H8O2

结构：COC(=O)c1ccc(NCCCCCCCCCCCC#Cc2ccc(Cl)cc2)cc1

HCID20330962

未命名化合物

PRODUCTS

生成物

结构：O=C([O-])c1ccc(NCCCCCCCCCCCC#Cc2ccc(Cl)cc2)cc1.OCCCC(O)CCO

HCID131711803

未命名化合物

PROCEDURE

实验过程

A mixture of 2.25 g. of methyl 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate, 280 mg. of 1,3-propanediol and 1.37 g. p-toluenesulfonic acid is heated at 180° C. for 18 hours and then is partitioned between ether and 3% aqueous sodium carbonate solution. The ether layer is separated, dried, and evaporated to yield 3-hydroxypropyl 1,3-propanediol 4-[13-(4-chlorophenyl)tridec-12-ynylamino]benzoate.

WORKUP

后处理

additionA mixture of 2.25 g
customis partitioned between ether and 3% aqueous sodium carbonate solution
customThe ether layer is separated
customdried
customevaporated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d6397a869a6488eb049db0e476f0603
来源数据集: uspto-grants-1980_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04211783
来源说明: uspto-grants-1980_07

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]#[C:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:22]2[CH:31]=[CH:30][C:25]([C:26]([O:28]C)=[O:27])=[CH:24][CH:23]=2)=[CH:4][CH:3]=1.[CH2:32]([OH:36])[CH2:33][CH2:34][OH:35].C1(C)C=CC(S(O)(=O)=O)=CC=1>>[OH:27][CH2:26][CH2:25][CH2:24][CH:32]([OH:36])[CH2:33][CH2:34][OH:35].[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]#[C:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][NH:21][C:22]2[CH:23]=[CH:24][C:25]([C:26]([O-:28])=[O:27])=[CH:30][CH:31]=2)=[CH:4][CH:3]=1