HRID1038275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61157

2-Propanol, 1,3-diamino-

C3H10N2O

结构：CC(=O)OCC(CNC(=O)c1c(I)c(N=C=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I)OC(C)=O

HCID10463456

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC(CNC(=O)c1c(I)c(NC(=O)NCC(O)CNC(=O)Nc2c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c2I)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I)OC(C)=O

HCID86646401

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

To a solution of acetic acid 1-acetoxymethyl-2-[3-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-5-isocyanato-benzoylamino]-ethyl ester in dichloromethane was added 1,3-diamino-2-hydroxypropane (0.5 equivalent). The reaction mixture was stirred for 18 hours and then purified by column chromatography to give Acetic acid 2-acetoxy-3-[3-[3-(3-{3-[3,5-bis-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo phenyl]-ureido}-2-hydroxy-propyl)-ureido]-5-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-benzoylamino]-propyl ester. This was dissolved in methanol and treated with aqueous ammonia. The material was purified by preparatie HPLC to give 1,3-bis-[N,N′-Bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-5-ureido-isophthalamide]-2-hydroxypropane as a white powder after freeze drying.

WORKUP

后处理

custompurified by column chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19fb8df1286b4bbab281b1cc153e47f0
来源数据集: uspto-grants-2013_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08551449B2
来源说明: uspto-grants-2013_10

反应 SMILES

[C:1]([O:4][CH2:5][CH:6]([O:37][C:38](=[O:40])[CH3:39])[CH2:7][NH:8][C:9](=[O:36])[C:10]1[C:15]([I:16])=[C:14]([N:17]=[C:18]=[O:19])[C:13]([I:20])=[C:12]([C:21](=[O:34])[NH:22][CH2:23][CH:24]([O:30][C:31](=[O:33])[CH3:32])[CH2:25][O:26][C:27](=[O:29])[CH3:28])[C:11]=1[I:35])(=[O:3])[CH3:2].[NH2:41][CH2:42][CH:43]([OH:46])[CH2:44][NH2:45]>ClCCl>[C:31]([O:30][CH:24]([CH2:23][NH:22][C:21](=[O:34])[C:12]1[C:11]([I:35])=[C:10]([C:9](=[O:36])[NH:8][CH2:7][CH:6]([O:37][C:38](=[O:40])[CH3:39])[CH2:5][O:4][C:1](=[O:3])[CH3:2])[C:15]([I:16])=[C:14]([NH:17][C:18]([NH:41][CH2:42][CH:43]([OH:46])[CH2:44][NH:45][C:18]([NH:17][C:14]2[C:13]([I:20])=[C:12]([C:21](=[O:34])[NH:22][CH2:23][CH:24]([O:30][C:31](=[O:33])[CH3:32])[CH2:25][O:26][C:27](=[O:29])[CH3:28])[C:11]([I:35])=[C:10]([C:9](=[O:36])[NH:8][CH2:7][CH:6]([O:37][C:38](=[O:40])[CH3:39])[CH2:5][O:4][C:1](=[O:3])[CH3:2])[C:15]=2[I:16])=[O:19])=[O:19])[C:13]=1[I:20])[CH2:25][O:26][C:27](=[O:29])[CH3:28])(=[O:33])[CH3:32]