3-(2-Methoxyphenyl)-2-methylpropanoic acid

Base Information

• Chemical Name: 3-(2-Methoxyphenyl)-2-methylpropanoic acid
• CAS No.: 52427-12-0
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• NSC Number: 63866
• DSSTox Substance ID: DTXSID80289775
• Mol file: 52427-12-0.mol

Synonyms:3-(2-methoxyphenyl)-2-methylpropanoic acid;52427-12-0;3-(2-Methoxy-phenyl)-2-methyl-propionic acid;NSC63866;starbld0019073;SCHEMBL1419560;DTXSID80289775;CCA42712;NSC-63866;AKOS000345438;3-(2-Methoxyphenyl)-2-methylpropionic acid;EN300-1870731;A1-08665

Chemical Property of 3-(2-Methoxyphenyl)-2-methylpropanoic acid

Chemical Property:

• Vapor Pressure: 0.000231mmHg at 25°C
• Boiling Point: 312.1°C at 760 mmHg
• Flash Point: 118.5°C
• Density: 1.114g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1OC)C(=O)O

Technology Process of 3-(2-Methoxyphenyl)-2-methylpropanoic acid

There total 8 articles about 3-(2-Methoxyphenyl)-2-methylpropanoic 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: 27.5%

3-(o-Methoxyphenyl)-2-methylpropionaldehyde (246529-82-8) → rac-3-(2-methoxyphenyl)-2-methylpropanoic acid (52427-12-0)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; In water; tert-butyl alcohol; at 20 ℃;

DOI:10.1021/acs.orglett.0c02959

Reference yield:

2-allylanisole (3698-28-0) + benzene-1,3,5-triyl triformate → 4-(2-Methoxyphenyl)-butanoic acid (33209-75-5) + 2-(2-methoxy-phenyl)-butyric acid (854647-56-6) + rac-3-(2-methoxyphenyl)-2-methylpropanoic acid (52427-12-0)

Guidance literature:

With formic acid; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; at 100 ℃; Overall yield = 67 %; Overall yield = 49.8 mg; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.9b02047

Reference yield:

3-(2-methoxyphenyl)-2-methylacrylic acid (3368-15-8) → rac-3-(2-methoxyphenyl)-2-methylpropanoic acid (52427-12-0)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

DOI:10.1021/ja01269a065

upstream raw materials:

3-(2-methoxyphenyl)-2-methylacrylic acid

(Z)-3-(2-methoxy-phenyl)-2-methyl-acrylic acid

2-allylanisole

4-iodoanisol

Downstream raw materials:

3-(2-methoxy-phenyl)-2-methyl-propionic acid amide

2-(2-Amino-propyl)-phenol

(d,l)-2-methoxyamphetamine

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