2-(4-Pentylphenyl)acetic acid

Base Information

• Chemical Name: 2-(4-Pentylphenyl)acetic acid
• CAS No.: 14377-21-0
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70385619
• Nikkaji Number: J438.757K
• Wikidata: Q27185856
• ChEMBL ID: CHEMBL1470631
• Mol file: 14377-21-0.mol

Synonyms:2-(4-pentylphenyl)acetic acid;14377-21-0;4-n-Pentylphenylacetic acid;4-Pentylphenylacetic acid;4-Pentylphenyl acetic acid;(4-pentylphenyl)acetic acid;MFCD00605331;benzeneacetic acid, 4-pentyl-;2-(4-pentylphenyl)aceticacid;MLS000087636;SCHEMBL846163;CHEMBL1470631;2-(4-pentylphenyl)ethanoic acid;DTXSID70385619;CHEBI:107532;HMS1607E19;HMS2466C13;CK1039;AKOS001483217;CCG-103131;DS-7416;AC-10336;SMR000023858;SY109962;CS-0061490;FT-0720828;A808106;SR-01000389109;SR-01000389109-1;Q27185856

Chemical Property of 2-(4-Pentylphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 5.34E-05mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 333.6 °C at 760 mmHg
• PKA: 4.38±0.10(Predicted)
• Flash Point: 230.7 °C
• PSA: 37.30000
• Density: 1.035 g/cm³
• LogP: 3.04640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Pentylphenyl)aceticacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)CC(=O)O

Technology Process of 2-(4-Pentylphenyl)acetic acid

There total 9 articles about 2-(4-Pentylphenyl)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:

(4-n-pentylphenyl)acetonitrile (60982-71-0) → 4-pentylphenylethanoic acid (14377-21-0)

Guidance literature:

With sulfuric acid; In acetic acid;

Reference yield:

4-pentylbenzoic acid (26311-45-5) → 4-pentylphenylethanoic acid (14377-21-0)

Guidance literature:

Multi-step reaction with 5 steps

1: SOCl₂

2: LiAlH₄ / diethyl ether

3: HBr, aq. H₂SO₄

4: dimethylsulfoxide

5: H₂SO₄ / acetic acid

With lithium aluminium tetrahydride; thionyl chloride; sulfuric acid; hydrogen bromide; In diethyl ether; acetic acid; dimethyl sulfoxide;

Reference yield:

4-pentylbenzoyl chloride (49763-65-7) → 4-pentylphenylethanoic acid (14377-21-0)

Guidance literature:

Multi-step reaction with 4 steps

1: LiAlH₄ / diethyl ether

2: HBr, aq. H₂SO₄

3: dimethylsulfoxide

4: H₂SO₄ / acetic acid

With lithium aluminium tetrahydride; sulfuric acid; hydrogen bromide; In diethyl ether; acetic acid; dimethyl sulfoxide;

upstream raw materials:

p-Valeryl-phenylessigsaeure-ethylester

4-n-pentylacetophenone

(4-n-pentylphenyl)acetonitrile

1-(bromomethyl)-4-n-pentylbenzene

Downstream raw materials:

2-(4-pentylphenyl)acetoxybenzaldehyde

2-(4-pentylphenyl)-1,3-propanediol

methyl 4-pentylphenylacetate

p-pentylphenylacetic acid chloride

Refernces

• 1、 Blake, Antony B.,Chipperfield, John R.,Clark, Stephen,Nelson, Peter G.. "Mesogenic Properties of Copper(II) Complexes formed from α-Substituted β-Dialdehydes and β-Diketones". . p. 1159 - 1160. Retrieved 2007/10/02.