136949-58-1

Basic information

• Product Name: Iobitridol
• Synonyms: N,N'-Bis(2,3-dihydroxypropyl)-5-((5-hydroxy-2-(hydroxymethyl)-1-oxopropyl)amino)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide;N1,N3-Bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxyMethyl)-1-oxopropyl]aMino]-2,4,6-triiodo-N1,N3-diMethyl-1,3-benzenedicarboxaMide;Optiject;Xenetix
• CAS NO: 136949-58-1
• Molecular Formula: C20H28I3N3O9
• Molecular Weight: 835.153
• Product Categories: Diagnostic;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 136949-58-1.mol

Chemical Properties

• Melting Point: 196-199°C
• Boiling Point: 1010.9°C at 760 mmHg
• Flash Point: 565.2°C
• Appearance: /
• Density: 2.171g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.726
• Storage Temp.: Refrigerator
• PKA: 10.94±0.70(Predicted)
• CAS DataBase Reference: Iobitridol(CAS DataBase Reference)
• NIST Chemistry Reference: Iobitridol(136949-58-1)
• EPA Substance Registry System: Iobitridol(136949-58-1)

Safety Data

• Hazardous Substances Data: 136949-58-1(Hazardous Substances Data)

Usage

Chemical Properties

White to Off-White Solid

Uses

Diagnostic aid (radiopaque medium).

Definition

ChEBI: A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a 3-hydroxy-2-(hydroxymethyl)propanimido at position 5.

InChI:InChI=1/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)

Upstream product

• 35453-19-1 2,4,6-triiodo-5-aminoisophthalic acid 
• 154921-11-6 dimethyl 5-amino-2,4,6-triiodo-1,3-benzenedicarboxylate 

Relevant articles and documents

Iobitridol preparation method and iobitridol intermediate and preparation method thereof

The invention discloses an iobitridol preparation method and an iobitridol intermediate and a preparation method thereof, and specifically relates to an intermediate M1 5-(2-isopropyl-1,3-dioxane-5-carbonylacyl)-2,4,6-triiodo isophthalic acid for preparing iobitridol. The invention also discloses a preparation method of the intermediate M1 and a method for preparing iobitridol from the intermediate M1. The intermediate is high in activity and easy to prepare, and the method for synthesizing iobitridol from the intermediate is short in time, simple in synthesis method, low in comprehensive costand high in the yield and the purity of the reaction target object, and is suitable for industrial production.

Novel intermediate and improved process for the preparation of iobitridol using thereof

The present invention relates to a novel method for producing iobitridol represented by chemical formula 1, 1-N,3-N-bis(2,3-dihydroxypropyl)-5-[3-hydroxy-2-(hydroxymethyl)propanamido]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide, which is a component for a contrast medium, and novel intermediates for the same. According to the present invention, desired entecavir can be produced economically and easily from the novel intermediates at a high yield.COPYRIGHT KIPO 2018