3-(4-Chlorophenyl)propanoic acid

Base Information

• Chemical Name: 3-(4-Chlorophenyl)propanoic acid
• CAS No.: 2019-34-3
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 29163990
• European Community (EC) Number: 628-011-1
• UNII: EU6X3MW040
• DSSTox Substance ID: DTXSID90174022
• Nikkaji Number: J136.392A
• Wikidata: Q27465198
• ChEMBL ID: CHEMBL3819037
• Mol file: 2019-34-3.mol

Synonyms:3-(4-Chlorophenyl)propanoic acid;2019-34-3;3-(4-Chlorophenyl)propionic acid;Benzenepropanoic acid, 4-chloro-;4-chlorophenylpropionic acid;4-Chlorobenzenepropanoic acid;MFCD00016555;p-Chlorohydrocinnamic acid;C9H9ClO2;3-(4-chlorophenyl)-propionic acid;EU6X3MW040;CHEMBL3819037;3-(4-Chloro-phenyl)-propionic acid;p-Chlorhydrozimtsaure;UNII-EU6X3MW040;SCHEMBL349314;p-Chloro Benzenepropanoic Acid;3-(4-chlorophenyl)propanoicacid;3-(p-chlorophenyl)propionic acid;AMY3667;DTXSID90174022;3-(4-Chlorophenyl)propanoic acid #;BDBM50180854;STK397363;4-CHLORO-BENZENEPROPANOIC ACID;AKOS000112333;AB01196;CS-W007646;3-(4-Chlorophenyl)propionic acid, 97%;3-(P-CHLOROPHENYL)PROPANOIC ACID;PITOLISANT METABOLITE BP1.3473;AS-12445;BP1.3473;PD174451;SY003370;BETA-(P-CHLOROPHENYL)PROPIONIC ACID;C2177;FT-0633981;.BETA.-(P-CHLOROPHENYL)PROPIONIC ACID;EN300-24304;A814319;AE-641/00345037;J-510685;Q27465198;Z178961272;isopentyl (isopentyloxycarbonyldisulfanyl)formate;3-(4-Chlorophenyl)-propionic acid;S0W

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

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 0.000333mmHg at 25°C
• Melting Point: 127-131 °C(lit.)
• Refractive Index: 1.558
• Boiling Point: 306.6 °C at 760 mmHg
• PKA: 4.61(at 25℃)
• Flash Point: 139.2 °C
• PSA: 37.30000
• Density: 1.27 g/cm³
• LogP: 2.35720
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

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

There total 38 articles about 3-(4-Chlorophenyl)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: 99.0%

p-chlorocinnamic acid (1615-02-7,940-62-5) → 3-(4-chlorophenyl)propanoic acid (2019-34-3)

Guidance literature:

With hydrazine hydrate; In ethanol; for 5.5h; Reflux;

DOI:10.1139/v2012-057

Reference yield: 98.0%

benzyl 4-chlorocinnamate (133793-08-5) → 3-(4-chlorophenyl)propanoic acid (2019-34-3)

Guidance literature:

With hydrogen; In ethyl acetate; at 40 ℃; for 1.5h;

Reference yield: 91.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) + carbon dioxide (124-38-9,18923-20-1) → 3-(4-chlorophenyl)propanoic acid (2019-34-3)

Guidance literature:

4-vinylbenzyl chloride; With 9-borabicyclo[3.3.1]nonane dimer; In 2-methyltetrahydrofuran; at 70 ℃; for 24h; Sealed tube;

carbon dioxide; With copper(l) iodide; cesium fluoride; sodium t-butanolate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; In 2-methyltetrahydrofuran; at 120 ℃; for 24h; regioselective reaction; Sealed tube;

DOI:10.1002/cssc.201903224

upstream raw materials:

p-chlorocinnamic acid

tetralin

3-(4-chlorophenyl)prop-2-enoic acid

3-(4-chlorophenyl)propanenitrile

Downstream raw materials:

3-(4-chlorophenyl)propionic amide

ethyl 3-(4-chlorophenyl)propanoate

β-Chlor-dihydrozimtsaeure-homoveratrylamid

4-chlorophenethyl radical

Refernces

• 1、 Huang, Yan,Hou, Jing,Zhan, Le-Wu,Zhang, Qian,Tang, Wan-Ying,Li, Bin-Dong. "Photoredox Activation of Formate Salts: Hydrocarboxylation of Alkenes via Carboxyl Group Transfer". . p. 15004 - 15012. Retrieved 2021/12/14.
• 2、 Gevorgyan, Ashot,Hopmann, Kathrin H.,Bayer, Annette. "Exploration of New Biomass-Derived Solvents: Application to Carboxylation Reactions". . p. 2080 - 2088. Retrieved 2020/02/20.