(4-Butylphenyl)acetic acid

Base Information

• Chemical Name: (4-Butylphenyl)acetic acid
• CAS No.: 14377-19-6
• Molecular Formula: C12H15O2
• Molecular Weight: 192.258
• Hs Code.: 2916399090
• European Community (EC) Number: 850-941-3
• DSSTox Substance ID: DTXSID50364826
• Nikkaji Number: J661.339J
• Wikidata: Q72514474
• ChEMBL ID: CHEMBL1407764
• Mol file: 14377-19-6.mol

Synonyms:(4-butylphenyl)acetic acid;14377-19-6;2-(4-butylphenyl)acetic acid;2-(4-butylphenyl)acetate;4-Butylphenylacetic acid;2-(4-Butylphenyl)aceticacid;MLS000058616;4-Butylbenzeneacetic acid;ChemDiv3_000225;SCHEMBL1445637;CHEMBL1407764;DTXSID50364826;HMS1473K05;HMS2381F21;CK2066;MFCD00982001;AKOS001076558;IDI1_019543;NCGC00039084-02;AS-45861;SMR000068119;CS-0213068;EU-0066771;FT-0734400;EN300-12338;SR-01000388882;SR-01000388882-1;Z57073686;F0345-3112

Chemical Property of (4-Butylphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 0.000147mmHg at 25°C
• Melting Point: 78-81℃
• Refractive Index: 1.527
• Boiling Point: 318.8 °C at 760 mmHg
• PKA: 4.39±0.10(Predicted)
• Flash Point: 215.9 °C
• PSA: 37.30000
• Density: 1.052
• LogP: 2.65630
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

(4-butylphenyl)acetic acid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)CC(=O)O

Technology Process of (4-Butylphenyl)acetic acid

There total 7 articles about (4-Butylphenyl)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: 75.0%

1-butyl-4-(chloromethyl)benzene (36078-54-3) → [4-(n-Butyl)phenyl]acetic acid (14377-19-6)

Guidance literature:

Reference yield: 38.0%

n-butyllithium (109-72-8,29786-93-4) + 2-(4-bromophenyl)-acetic acid (1878-68-8) → [4-(n-Butyl)phenyl]acetic acid (14377-19-6)

Guidance literature:

2-(4-bromophenyl)-acetic acid; With bis(tri-tert-butylphosphine)palladium⁽⁰⁾; choline chloride; urea; In water; at 60 ℃; for 0.166667h; Schlenk technique;

n-butyllithium; With zinc(II) chloride; In 2-methyltetrahydrofuran; water; at 60 ℃; for 0.00555556h; Reagent/catalyst; Temperature; chemoselective reaction; Schlenk technique;

DOI:10.1002/anie.202101571

Reference yield:

p-Butyryl-phenylessigsaeure-ethylester (14377-23-2) → [4-(n-Butyl)phenyl]acetic acid (14377-19-6)

Guidance literature:

With potassium hydroxide; hydrazine hydrate;

DOI:10.1016/S0040-4020(01)82572-2

upstream raw materials:

(4-n-butylphenyl)acetonitrile

p-Butyryl-phenylessigsaeure-ethylester

1-butyl-4-(chloromethyl)benzene

Ethyl 2-phenylethanoate

Downstream raw materials:

(4-butyl-phenyl)-acetic acid dodecyl ester

p-Butylphenyl-essigsaeure-ethylester

4'-n-Butyl-4-octyl-α-chlor-trans-stilben

4-n-Butyl-4'-ethoxy-2'-methyl-trans-stilben