4-Isopropylphenylacetic acid

Base Information

• Chemical Name: 4-Isopropylphenylacetic acid
• CAS No.: 4476-28-2
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 29163990
• European Community (EC) Number: 224-755-2
• DSSTox Substance ID: DTXSID80196298
• Nikkaji Number: J136.411A
• Wikidata: Q72486152
• Mol file: 4476-28-2.mol

Synonyms:4-Isopropylphenylacetic acid;4476-28-2;2-(4-Isopropylphenyl)acetic acid;(4-isopropylphenyl)acetic acid;Benzeneacetic acid, 4-(1-methylethyl)-;2-(4-propan-2-ylphenyl)acetic acid;p-Cymene-7-carboxylic acid;2-[4-(Propan-2-Yl)Phenyl]Acetic Acid;p-Isopropyl phenyl acetic acid;(4-Isopropyl-phenyl)-acetic acid;EINECS 224-755-2;MFCD00041035;AI3-12008;[4-(propan-2-yl)phenyl]acetic acid;4-(Prop-2-yl)phenylacetic acid;7-p-Cymenecarboxylic acid;4-Isopropylphenylessigsaure;4-isopropylpheylacetic acid;p-isopropylphenylacetic acid;4-isopropylphenyl acetic acid;SCHEMBL909093;(p-isopropylphenyl)acetic acid;4-(Isopropyl)phenylacetic acid;DTXSID80196298;AMY15245;BBL027961;STL015389;AKOS000296244;PS-5581;BP-11956;SY019530;BB 0248970;CS-0030404;FT-0618845;EN300-110936;F20937;CS-002/03844024;Z362118700

Chemical Property of 4-Isopropylphenylacetic acid

Chemical Property:

• Vapor Pressure: 0.00071mmHg at 25°C
• Melting Point: 51-52 ºC
• Boiling Point: 295 °C at 760 mmHg
• PKA: pK1:4.391 (25°C)
• Flash Point: 192.1 °C
• PSA: 37.30000
• Density: 1.067 g/cm³
• LogP: 2.43710
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

4-Isopropylphenylaceticacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Isopropylphenylacetic acid

There total 19 articles about 4-Isopropylphenylacetic 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: 81.0%

C13H15Cl3O2 (1255911-40-0) → 4-isopropylphenylacetic acid 2-deuterio-2,2-dichloroethyl ester (1255911-52-4) + (4-isopropylphenyl)acetic acid (4476-28-2)

Guidance literature:

With indium; deuterated ammonium chloride; In tetrahydrofuran-d8; water-d2; at 20 ℃; for 40h; chemoselective reaction; Reflux;

DOI:10.1016/j.tetlet.2010.09.039

Reference yield: 75.0%

formic acid (64-18-6) + 4-isopropylbenzyl chloride (2051-18-5) → (4-isopropylphenyl)acetic acid (4476-28-2)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; palladium diacetate; In N,N-dimethyl-formamide; at 115 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201802384

Reference yield: 70.0%

1-(2,2-difluoroethenyl)-4-isopropylbenzene (75633-89-5) → (4-isopropylphenyl)acetic acid (4476-28-2)

Guidance literature:

With sulfuric acid; Ambient temperature;

DOI:10.1246/cl.1980.651

upstream raw materials:

(4-isopropylphenyl)acetonitrile

4-methylisopropylbenzene

4-isopropylmandelic acid

(4-isopropylbenzyl)magnesium chloride

Downstream raw materials:

methyl 2-(4-isopropylphenyl)acetate

4-(carboxymethyl)benzoic acid

2-(4-isopropylphenyl)ethanol

4-(1-methylethyl)-benzeneacetyl chloride