4-Iodobutyric acid

Base Information

• Chemical Name: 4-Iodobutyric acid
• CAS No.: 7425-27-6
• Molecular Formula: C4H7IO2
• Molecular Weight: 214.003
• Hs Code.: 2915900090
• European Community (EC) Number: 621-066-2
• UNII: W6957EDP9C
• DSSTox Substance ID: DTXSID60391729
• Nikkaji Number: J1.405.878H
• Wikidata: Q82189400
• Mol file: 7425-27-6.mol

Synonyms:4-iodobutanoic Acid;4-Iodobutyric acid;7425-27-6;Butanoic acid, 4-iodo-;gamma-Iodobutyric acid;Butyric acid, 4-iodo-;W6957EDP9C;gamma-iodo butyric acid;4-IODOBUTYRICACID;4-Iodobutyric acid,98%;4-Iodobutyric acid, 98%;UNII-W6957EDP9C;SCHEMBL449199;DTXSID60391729;HALXOXQZONRCAB-UHFFFAOYSA-N;STR09488;MFCD00015852;AKOS015894340;FT-0720476;EN300-144125;A902636

Chemical Property of 4-Iodobutyric acid

Chemical Property:

• Vapor Pressure: 0.00161mmHg at 25°C
• Melting Point: 37-40oC(lit.)
• Boiling Point: 273.2oC at 760 mmHg
• PKA: 4.56±0.10(Predicted)
• Flash Point: 119oC
• PSA: 37.30000
• Density: 1.981g/cm3
• LogP: 1.28620
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 213.94908
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

99% ^*data from raw suppliers

4-Iodobutyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CC(=O)O)CI
• Uses: 4-Iodobutyric Acid is used as a reagent in the synthesis of a novel acridinium ester which is used as a chemiluminescent emitter in nucleic acid hybridization assays using chemiluminescence quenching.

Technology Process of 4-Iodobutyric acid

There total 8 articles about 4-Iodobutyric 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: 100.0%

bromobutyric acid (2623-87-2) → 4-iodobutanoic acid (7425-27-6)

Guidance literature:

With potassium iodide; In acetone; for 6h; Heating;

Reference yield: 98.0%

cyclopropanecarboxylic acid (1759-53-1) → 4-iodobutanoic acid (7425-27-6)

Guidance literature:

With trimethylsilyl iodide; for 96h;

DOI:10.1016/S0040-4039(01)92374-3

Reference yield: 86.0%

4-butanolide (96-48-0) → 4-iodobutanoic acid (7425-27-6)

Guidance literature:

With Methyltrichlorosilane; sodium iodide; In acetonitrile; for 3h; Heating;

DOI:10.1021/jo00169a010

upstream raw materials:

γ-chlorobutyric acid

4-(4-nitrophenoxy)butanoic acid

4-butanolide

bromobutyric acid

Downstream raw materials:

4-butanolide

butyric acid

4-iodobutyraldehyde

2-Hydroxy-2-phenyl-hexanedioic acid 1-methyl ester

Refernces

• 1、 Wolfe, Saul,Akuche, Christiana,Ro, Stephen,Wilson, Marie-Claire,Kim, Chan-Kyung,Shi, Zheng. "5-Hydroxy[1,2]oxazinan-3-ones as potential carbapenem and D-ala-D-ala surrogates". . p. 915 - 936. Retrieved 2007/10/03.
• 2、 Neu, Henrik,Kihlberg, Tor,Langstroem, Bengt. "Synthesis of saturated fatty acids 11C (13C)-labelled in the ω-methyl position". . p. 509 - 524. Retrieved 2007/10/03.