4-(p-Iodophenyl)butyric acid

Base Information

• Chemical Name: 4-(p-Iodophenyl)butyric acid
• CAS No.: 27913-58-2
• Molecular Formula: C10H11 I O2
• Molecular Weight: 290.101
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50405208
• Nikkaji Number: J697.052D
• Wikidata: Q82209643
• Mol file: 27913-58-2.mol

Synonyms:4-(p-Iodophenyl)butyric acid;27913-58-2;4-(4-iodophenyl)butanoic Acid;C10H11IO2;MFCD00063353;Benzenebutanoic acid, 4-iodo-;4-Iodobenzenebutanoic acid;4(4-iodophenyl)butanoic acid;SCHEMBL452845;4-(4-iodophenyl)butyric acid;4-(p-iodophenyl)-butyric acid;DTXSID50405208;OGOMLUBUDYFIOG-UHFFFAOYSA-N;VT1082;AKOS009208693;3-HYDROXY-2-METHYLDIPHENYLAMINE;GS-5422;4-(p-Iodophenyl)butyric acid, >=98%;SY239924;CS-0148623;FT-0638731;A912758;J-016918

Chemical Property of 4-(p-Iodophenyl)butyric acid

Chemical Property:

• Vapor Pressure: 1.58E-05mmHg at 25°C
• Melting Point: 89-89.5 °C
• Refractive Index: 1.608
• Boiling Point: 351°C at 760 mmHg
• PKA: 4.74±0.10(Predicted)
• Flash Point: 166.1°C
• PSA: 37.30000
• Density: 1.686g/cm³
• LogP: 2.69850
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 289.98038
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

4-(p-Iodophenyl)butyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCC(=O)O)I
• Uses: 4-(p-Iodophenyl)butyric Acid is a reactant involved in the synthesis of meta- and paracyclophanes containing unsaturated amino acids and intramolecular Friedel-Crafts reactions for synthesis of 1-tetralones. Reactant involved in:? ;Synthesis of meta- and paracyclophanes containing unsaturated amino acids1? ;Intramolecular Friedel-Crafts reactions for synthesis of 1-tetralones2Involved in investigations of pharmacological activity pertaining to:? ;Apoptosis, proliferation, and histon deacetylase activity in human colorectal cancer cells3,4? ;Portable albumin binders for extending the half-life of contrast agents5

Technology Process of 4-(p-Iodophenyl)butyric acid

There total 8 articles about 4-(p-Iodophenyl)butyric 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: 60.0%

4-Phenylbutyric acid (1821-12-1) → 4-(4-iodophenyl)butanoic acid (27913-58-2) + 4-(2-iodophenyl)butanoic acid

Guidance literature:

With sulfuric acid; iodine; periodic acid; In acetic acid; at 75 ℃; for 18h;

DOI:10.1016/j.tet.2004.05.062

Reference yield: 55.0%

4-Phenylbutyric acid (1821-12-1) → 4-(4-iodophenyl)butanoic acid (27913-58-2)

Guidance literature:

With sulfuric acid; iodine; acetic acid; periodic acid; at 65 ℃;

DOI:10.1016/j.mencom.2015.03.010

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + C17H24BI (1334204-41-9) → 4-(4-iodophenyl)butanoic acid (27913-58-2)

Guidance literature:

carbon dioxide; C₁₇H₂₄BI; With chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); lithium methanolate; In tetrahydrofuran; at 70 ℃; for 24h; under 760.051 Torr; Inert atmosphere;

With hydrogenchloride; In water; Inert atmosphere;

DOI:10.1002/anie.201101769

upstream raw materials:

4-(4-iodophenyl)-4-oxobutanoic acid

4-Phenylbutyric acid

acetic acid

carbon dioxide

Downstream raw materials:

4-(4-iodo-phenyl)-butyric acid ethyl ester

C₁₅H₁₉IO₃

7-iodo-1-tetralone

methyl 4-(4-iodophenyl)butanoate