3-(4-Iodophenyl)propanoic acid

Base Information

• Chemical Name: 3-(4-Iodophenyl)propanoic acid
• CAS No.: 1643-29-4
• Molecular Formula: C9H9IO2
• Molecular Weight: 276.074
• Hs Code.: 2916399090
• European Community (EC) Number: 674-698-6
• NSC Number: 31595
• DSSTox Substance ID: DTXSID90283446
• Nikkaji Number: J468.272F
• Wikidata: Q72484420
• Mol file: 1643-29-4.mol

Synonyms:3-(4-iodophenyl)propanoic acid;1643-29-4;3-(4-Iodophenyl)propionic acid;benzenepropanoic acid, 4-iodo-;MFCD00017597;4-Iodohydrocinnamic acid;NSC31595;4-Iodo-benzenepropanoic acid;3-(4-iodophenyl)propanoicacid;SCHEMBL1007160;3-(4'-iodophenyl)propanoic acid;DTXSID90283446;3-(4'-Iodophenyl)propionic acid;SJMRZGIIQIWIFS-UHFFFAOYSA-N;AMY10997;NSC-31595;AKOS009159241;PS-7248;SY016883;CS-0157511;FT-0600353;EN300-139919;A810557;W-205934

Chemical Property of 3-(4-Iodophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 4.72E-05mmHg at 25°C
• Melting Point: 140-142 °C
• Refractive Index: 1.624
• Boiling Point: 335.4 °C at 760 mmHg
• PKA: 4.61±0.10(Predicted)
• Flash Point: 156.7 °C
• PSA: 37.30000
• Density: 1.775 g/cm³
• LogP: 2.30840
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 275.96473
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99%, ^*data from raw suppliers

3-(4-Iodophenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC(=O)O)I

Technology Process of 3-(4-Iodophenyl)propanoic acid

There total 12 articles about 3-(4-Iodophenyl)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: 75.0%

3-Phenylpropionic acid (501-52-0) → 3-(4-iodophenyl)propionic acid (1643-29-4)

Guidance literature:

With potassium iodate; sulfuric acid; iodine; acetic acid; In water; for 3h; Reflux;

Reference yield: 70.0%

3-(4-aminophenyl)propionic acid (2393-17-1) → 3-(4-iodophenyl)propionic acid (1643-29-4)

Guidance literature:

3-(4-aminophenyl)propionic acid; With sulfuric acid; sodium nitrite; In water; at 0 ℃; for 0.5h;

With potassium iodide; In water; at 0 ℃; for 3h;

DOI:10.1039/c6ob02583h

Reference yield: 33.0%

3-Phenylpropionic acid (501-52-0) → 3-(2-iodophenyl)propanoic acid (96606-95-0) + 3-(4-iodophenyl)propionic acid (1643-29-4)

Guidance literature:

With potassium iodate; sulfuric acid; iodine; In water; acetic acid; Reflux;

DOI:10.1021/jm8010178

upstream raw materials:

3-(p-iodophenyl)acrylic acid

3-(4-iodo-phenyl)-thiopropionic acid dimethylamide

2-(4-Iodobenzyl)malonic acid

3-Phenylpropionic acid

Downstream raw materials:

6-iodo-2,3-dihydro-1H-inden-1-one

vinyl 3-(4-iodophenyl)propanoate

4-hydroxyphenylpropionic acid

3-(4-biphenylyl)propionic acid

Refernces

• 1、 -. "THIOAMIDE-CONTAINING COMPOSITIONS AND METHODS OF USE THEREOF". Page/Page column 14-15. . Retrieved 2020/06/05.
• 2、 -. "RADIOIODINATED BIOCONJUGATION REAGENTS". Page/Page column 19. . Retrieved 2016/12/26.