(4-Amino-3-iodophenyl)acetic acid

Base Information

• Chemical Name: (4-Amino-3-iodophenyl)acetic acid
• CAS No.: 133178-71-9
• Molecular Formula: C8H8INO2
• Molecular Weight: 277.06
• DSSTox Substance ID: DTXSID80563926
• Nikkaji Number: J711.954B
• Wikidata: Q82448448
• Mol file: 133178-71-9.mol

Synonyms:133178-71-9;(4-Amino-3-iodophenyl)acetic acid;2-(4-amino-3-iodophenyl)acetic acid;(4-Amino-3-iodophenyl)acetic acid;SCHEMBL2729682;DTXSID80563926;(4-Amino-3-iodophenyl)aceticacid;UCWIWLVVPHNSKI-UHFFFAOYSA-N;2-(4-amino-3-iodophenyl)aceticacid;SB81848;G11068

Chemical Property of (4-Amino-3-iodophenyl)acetic acid

Chemical Property:

• Boiling Point: 400.1±40.0 °C(Predicted)
• PKA: 4.52±0.10(Predicted)
• PSA: 63.32000
• Density: 1.961±0.06 g/cm3(Predicted)
• LogP: 2.08170
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 276.95998
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

(4-Amino-3-iodophenyl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(=O)O)I)N

Technology Process of (4-Amino-3-iodophenyl)acetic acid

There total 4 articles about (4-Amino-3-iodophenyl)acetic 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: 56.0%

4-aminophenylacetic acid (1197-55-3) → 2-(4-amino-3-iodophenyl)acetic acid (133178-71-9)

Guidance literature:

With Iodine monochloride; In dichloromethane;

DOI:10.1021/jm960723m

Reference yield: 56.0%

4-aminophenylacetic acid (1197-55-3) → 4-Amino-3,5-diiodophenylacetic acid (172607-49-7) + 2-(4-amino-3-iodophenyl)acetic acid (133178-71-9)

Guidance literature:

With hydrogenchloride; Iodine monochloride; 1.) 5 h, 2.) 4 deg C, 14 h;

DOI:10.1002/ardp.19953280909

Reference yield:

(4-amino-3-iodophenyl)acetic acid ethyl ester (405267-73-4) → 2-(4-amino-3-iodophenyl)acetic acid (133178-71-9)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 20 ℃; for 1h;

upstream raw materials:

4-aminophenylacetic acid

ethyl (4-amino-3,5-dibromophenyl)acetate

(4-amino-3-iodophenyl)acetic acid ethyl ester

Downstream raw materials:

(4-azido-3-iodophenyl)-acetic acid

Iodoaminophenpyramine

2-methylbenzothiazole-6-acetic acid

(4-azido-3-iodophenyl)-acetic anhydride