3-(2-Iodophenylamino)propanoic acid

Base Information

• Chemical Name: 3-(2-Iodophenylamino)propanoic acid
• CAS No.: 38470-21-2
• Molecular Formula: C9H10INO2
• Molecular Weight: 291.09
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID10595013
• Wikidata: Q82489946
• Mol file: 38470-21-2.mol

Synonyms:3-(2-IODOPHENYLAMINO)PROPANOIC ACID;38470-21-2;3-(2-iodoanilino)propanoic acid;SCHEMBL1736885;N-(2-Iodophenyl)-beta-alanine;DTXSID10595013;MFCD08272061;AB44265;C90469

Chemical Property of 3-(2-Iodophenylamino)propanoic acid

Chemical Property:

• PSA: 49.33000
• LogP: 2.25080
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 290.97563
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2-Iodophenylamino)propanoic acid

There total 2 articles about 3-(2-Iodophenylamino)propanoic acid 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: 57.0%

2-iodophenylamine (615-43-0) + acrylic acid (79-10-7) → 3-(2-iodophenylamino)propionaldehyde carboxylic acid (38470-21-2)

Guidance literature:

In acetic acid; at 90 ℃; for 16h; Sealed tube;

DOI:10.1021/jacs.7b03010

Reference yield:

→ 3-(2-iodophenylamino)propionaldehyde carboxylic acid (38470-21-2)

Guidance literature:

2-Iodanilin, Propiolacton;

Reference yield: 54.0%

3-(2-iodophenylamino)propionaldehyde carboxylic acid (38470-21-2) + diphenylphosphane (829-85-6) → 3-((2-(diphenylphosphanyl)phenyl)amino)propanoic acid

Guidance literature:

With palladium diacetate; triethylamine; In acetonitrile; at 90 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.7b03010

upstream raw materials:

2-iodophenylamine

acrylic acid

Downstream raw materials:

8-iodo-2,3-dihydro-1H-quinolin-1-one

Refernces