4-tert-Butylphenylacetic acid

Base Information

• Chemical Name: 4-tert-Butylphenylacetic acid
• CAS No.: 32857-63-9
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 29163990
• European Community (EC) Number: 251-264-0
• DSSTox Substance ID: DTXSID9067728
• Nikkaji Number: J135.446I
• Mol file: 32857-63-9.mol

Synonyms:4-tert-Butylphenylacetic acid;32857-63-9;2-(4-tert-butylphenyl)acetic acid;(4-tert-Butylphenyl)acetic acid;2-(4-(tert-Butyl)phenyl)acetic acid;Benzeneacetic acid, 4-(1,1-dimethylethyl)-;4-t-Butylphenylacetic acid;MFCD00082593;(4-tert-Butyl-phenyl)-acetic acid;EINECS 251-264-0;TB2;SCHEMBL840854;(p-tert-Butylphenyl)acetic acid;4-tert-butyl-phenyl acetic acid;DTXSID9067728;(4-tert-Butylphenyl)acetic acid #;4-tert-Butyl-benzene-1-acetic acid;Acetic acid, (p-tert-butylphenyl)-;BBL020444;BTS-10335;STK893161;AKOS000154522;4-(T-BUTYL)-PHENYLACETIC ACID;AM83122;PS-8328;4-(1,1-Dimethylethyl)benzeneacetic acid;AC-23616;SY014222;[4-(1,1-dimethylethyl)phenyl]acetic acid;4-tert-Butylphenylacetic acid, AldrichCPR;[4-(2-Methyl-2-propanyl)phenyl]acetic acid;B4307;BB 0248971;CS-0130494;FT-0639061;EN300-111584;AE-848/00908019;Z57309485

Chemical Property of 4-tert-Butylphenylacetic acid

Chemical Property:

• Appearance/Colour: Almost white crystalline powder
• Vapor Pressure: 0.000427mmHg at 25°C
• Melting Point: 77-78 °C
• Boiling Point: 302.8 °C at 760 mmHg
• PKA: 4.41±0.10(Predicted)
• Flash Point: 199.9 °C
• PSA: 37.30000
• Density: 1.047 g/cm³
• LogP: 2.61120
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butylphenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-tert-Butylphenylacetic acid

There total 46 articles about 4-tert-Butylphenylacetic 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%

methyl 2-(4-tert-butylphenyl)acetate (3549-23-3) → 4-t-butylphenylacetic acid (32857-63-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; water; at 23 ℃; for 12h;

DOI:10.1021/acs.joc.0c00494

Reference yield: 99.0%

LiOH monohydrate + methyl 2-(4-tert-butylphenyl)acetate (3549-23-3) → 4-t-butylphenylacetic acid (32857-63-9)

Guidance literature:

With sulfuric acid; In methanol; water;

Reference yield: 92.0%

4-tert-butylbenzyl cyanide (3288-99-1) → 4-t-butylphenylacetic acid (32857-63-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2005.06.006

upstream raw materials:

4-tert-butylbenzyl cyanide

4-[(4-tert-butyl-phenyl)-thioacetyl]-morpholine

carbon dioxide

4-tert-butylbenzyl chloride

Downstream raw materials:

ethyl 2-(4-(tert-butyl)phenyl)acetate

4-tert.-Butyl-tropasaeure

4-(1,1-Dimethylethyl)phenylmethyl ketone

Acetic acid 2-(4-tert-butyl-phenyl)-ethyl ester