Acetic acid, (3-butyramido-2,4,6-triiodophenoxy)-

Base Information

• Chemical Name: Acetic acid, (3-butyramido-2,4,6-triiodophenoxy)-
• CAS No.: 1225-80-5
• Molecular Formula: C₁₂H₁₂I₃NO₄
• Molecular Weight: 614.945
• DSSTox Substance ID: DTXSID70153633
• Nikkaji Number: J79.193H
• Wikidata: Q83020590
• Mol file: 1225-80-5.mol

Synonyms:BRN 2706420;ACETIC ACID, (3-BUTYRAMIDO-2,4,6-TRIIODOPHENOXY)-;(3-Butyramido-2,4,6-triiodophenoxy)acetic acid;1225-80-5;2,4,6-Trijod-3-(n)-butyrylamino-phenoxy-essigsaeure [German];2,4,6-Trijod-3-(n)-butyrylamino-phenoxy-essigsaeure;C12H12I3NO4;DTXSID70153633;(3-Butyrylamino-2,4,6-triiodophenoxy)acetic acid

Chemical Property of Acetic acid, (3-butyramido-2,4,6-triiodophenoxy)-

Chemical Property:

• Vapor Pressure: 1.99E-16mmHg at 25°C
• Boiling Point: 623.9°Cat760mmHg
• Flash Point: 331.1°C
• Density: 2.393g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 614.7901
• Heavy Atom Count: 20
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC1=C(C(=C(C=C1I)I)OCC(=O)O)I

Technology Process of Acetic acid, (3-butyramido-2,4,6-triiodophenoxy)-

There total 2 articles about Acetic acid, (3-butyramido-2,4,6-triiodophenoxy)- 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:

Buttersaeure-2,4,6-triiod-3-hydroxy-anilid (3898-32-6) + methyl chloroacetate (96-34-4) → 2,4,6-Triiod-3-butyrylamino-phenoxy-essigsaeure (1225-80-5)

Guidance literature:

With potassium carbonate; In acetone;

Reference yield:

→ 2,4,6-Triiod-3-butyrylamino-phenoxy-essigsaeure (1225-80-5)

Guidance literature:

2-<2,4,6-Triiod-3-butyrylamino-phenoxy>-essigsaeure-ethylester, wss.-ethanol. NaOH;

upstream raw materials:

Buttersaeure-2,4,6-triiod-3-hydroxy-anilid

methyl chloroacetate