HRID1477083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

HCID3724

Iodixanol

C35H44I6N6O15

结构：CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

HCID3730

Iohexol

C19H26I3N3O9

结构：Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

HCID10395011

5-Amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

C14H18I3N3O6

2 次

PRODUCTS

生成物

结构：CC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

HCID11115326

未命名化合物

PROCEDURE

实验过程

In the acetylation step of the industrial scale synthesis of Iohexol and Iodixanol, 5-amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide (Compound B) is acetylated to produce 5-acetylamino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide (Compound A) using acetic anhydride as the acetylating reagent. We have now found that Compound A can be prepared from Compound B in an optimized process wherein the generation of certain impurities is significantly reduced.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c56a76d4aa0a42eeb6f43570e650ee07
来源数据集: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09403757B2
来源说明: uspto-grants-2016_08

反应 SMILES

[CH3:1][C:2]([N:4]([C:10]1[C:11]([I:34])=[C:12]([C:26]([NH:28][CH2:29][CH:30]([OH:33])[CH2:31][OH:32])=[O:27])[C:13]([I:25])=[C:14]([C:17]([NH:19][CH2:20][CH:21]([OH:24])[CH2:22][OH:23])=[O:18])[C:15]=1[I:16])CC(O)CO)=[O:3].CC(N(C1C(I)=C(C(NCC(O)CO)=O)C(I)=C(C(NCC(O)CO)=O)C=1I)CC(O)CN(C(C)=O)C1C(I)=C(C(NCC(O)CO)=O)C(I)=C(C(NCC(O)CO)=O)C=1I)=O.NC1C(I)=C(C(NCC(O)CO)=O)C(I)=C(C=1I)C(NCC(O)CO)=O>>[C:2]([NH:4][C:10]1[C:15]([I:16])=[C:14]([C:17]([NH:19][CH2:20][CH:21]([OH:24])[CH2:22][OH:23])=[O:18])[C:13]([I:25])=[C:12]([C:11]=1[I:34])[C:26]([NH:28][CH2:29][CH:30]([OH:33])[CH2:31][OH:32])=[O:27])(=[O:3])[CH3:1]