Acetic acid, (3-amino-2,4,6-triiodophenyl)-

Base Information

• Chemical Name: Acetic acid, (3-amino-2,4,6-triiodophenyl)-
• CAS No.: 3119-17-3
• Molecular Formula: C8H6 I3 N O2
• Molecular Weight: 528.85
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID80185122
• Nikkaji Number: J85.179E
• Wikidata: Q83056086
• ChEMBL ID: CHEMBL295285
• Mol file: 3119-17-3.mol

Synonyms:(3-Amino-2,4,6-triiodophenyl)acetic acid;3119-17-3;BRN 2809883;ACETIC ACID, (3-AMINO-2,4,6-TRIIODOPHENYL)-;Acido 3-amino-2,4,6-triiodofenilacetico [Italian];Acido 3-amino-2,4,6-triiodofenilacetico;C8H6I3NO2;CHEMBL295285;SCHEMBL6247495;DTXSID80185122;C8-H6-I3-N-O2

Chemical Property of Acetic acid, (3-amino-2,4,6-triiodophenyl)-

Chemical Property:

• Vapor Pressure: 1.46E-11mmHg at 25°C
• Boiling Point: 518.1°C at 760 mmHg
• Flash Point: 267.2°C
• PSA: 63.32000
• Density: 2.852g/cm³
• LogP: 3.29090
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 528.7533
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99%min ^*data from raw suppliers

(3-AMINO-2,4,6-TRIIODOPHENYL)ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1I)N)I)CC(=O)O)I

Technology Process of Acetic acid, (3-amino-2,4,6-triiodophenyl)-

There total 2 articles about Acetic acid, (3-amino-2,4,6-triiodophenyl)- 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: 61.0%

3-amino phenylacetic acid (14338-36-4) → ω-(3-amino-2,4,6-triiodophenyl)acetic acid (3119-17-3)

Guidance literature:

With hydrogenchloride; Iodine monochloride; In water; at 75 ℃; for 3h;

DOI:10.1021/jm00159a019

Reference yield:

→ ω-(3-amino-2,4,6-triiodophenyl)acetic acid (3119-17-3)

Guidance literature:

3-Nitro-phenylessigsaeure, 1. Palladium/Kohle, wss. HCl, Raumtemp., Normaldruck, Hydrieren, 2. Verd. mit W., 3. ICl, 80grad;

Reference yield: 60.0%

2-palmitoylglycerol (23470-00-0) + ω-(3-amino-2,4,6-triiodophenyl)acetic acid (3119-17-3) → 2-palmitoylglycerol 1,3-bis<3-(3-amino-2,4,6-triiodophenyl)acetate> (103959-71-3)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 72h;

DOI:10.1021/jm00162a007

upstream raw materials:

3-amino phenylacetic acid

Downstream raw materials:

2-palmitoylglycerol 1,3-bis<3-(3-amino-2,4,6-triiodophenyl)acetate>

1,3-dipalmitoylglycerol 2-[(3-amino-2,4,6-triiodophenyl)acetate]

C₈H₆⁽¹²⁵⁾I₃NO₂

Refernces