Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, 2-hydroxyethyl ester

Base Information

• Chemical Name: Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, 2-hydroxyethyl ester
• CAS No.: 1555-88-0
• Molecular Formula: C₁₄H₁₅I₃N₂O₅
• Molecular Weight: 671.997
• DSSTox Substance ID: DTXSID20165908
• Nikkaji Number: J71.595F
• Wikidata: Q83035147
• Mol file: 1555-88-0.mol

Synonyms:B 6500;BRN 2784216;BENZOIC ACID, 3-ACETAMIDO-5-ACETAMIDOMETHYL-2,4,6-TRIIODO-, 2-HYDROXYETHYL ESTER;3-Acetamido-5-acetamidomethyl-2,4,6-triiodobenzoic acid 2-hydroxyethyl ester;1555-88-0;DTXSID20165908;C14H15I3N2O5;C14-H15-I3-N2-O5;LS-35454;B-6500

Chemical Property of Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, 2-hydroxyethyl ester

Chemical Property:

• Vapor Pressure: 4.94E-23mmHg at 25°C
• Boiling Point: 740.6°Cat760mmHg
• Flash Point: 401.7°C
• Density: 2.271g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 671.8115
• Heavy Atom Count: 24
• Complexity: 479

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OCCO)I

Technology Process of Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, 2-hydroxyethyl ester

There total 1 articles about Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, 2-hydroxyethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

iodamide (440-58-4) + 2-chloro-ethanol (107-07-3) → 3-Acetylaminomethyl-5-acetylamino-2,4,6-trijod-benzoesaeure-(2-hydroxy-aethylester) (1555-88-0)

Guidance literature:

Multistep reaction; (i) NaOEt, (ii) /BRN= 878139/;

DOI:10.1002/hlca.19650480126

upstream raw materials:

iodamide

2-chloro-ethanol