2-Methyl-2-phenyl-3-hydroxypropanoic acid

Base Information

• Chemical Name: 2-Methyl-2-phenyl-3-hydroxypropanoic acid
• CAS No.: 4370-81-4
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• NSC Number: 41424
• DSSTox Substance ID: DTXSID201258212
• Nikkaji Number: J2.328.748J
• Mol file: 4370-81-4.mol

Synonyms:4370-81-4;2-Methyl-2-phenylhydracrylic acid;Hydracrylic acid, 2-methyl-2-phenyl-;2-Methyl-2-phenyl-3-hydroxypropanoic acid;NSC41424;alpha-methyltropic acid;SCHEMBL6758034;DTXSID201258212;NSC 41424;NSC-41424;alpha-(Hydroxymethyl)-alpha-methylbenzeneacetic acid

Chemical Property of 2-Methyl-2-phenyl-3-hydroxypropanoic acid

Chemical Property:

• Vapor Pressure: 6.5E-05mmHg at 25°C
• Boiling Point: 330.8°Cat760mmHg
• Flash Point: 168.1°C
• Density: 1.215g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-2-phenyl-3-hydroxypropanoic acid

There total 9 articles about 2-Methyl-2-phenyl-3-hydroxypropanoic 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: 76.8%

ethyl 3-hydroxy-2-methyl-2-phenylpropanoate (16141-26-7) → 3-hydroxy-2-methyl-2-phenylpropanoic acid (4370-81-4)

Guidance literature:

With sodium hydroxide; a) RT, 3 h, b) 60 deg C, 1.5 h;

DOI:10.1021/jm00385a028

Reference yield: 73.0%

carbon monoxide (201230-82-2) + 3-hydroxy-2-phenylpropene (6006-81-1) → 3-hydroxy-2-methyl-2-phenylpropanoic acid (4370-81-4)

Guidance literature:

carbon monoxide; 3-hydroxy-2-phenylpropene; With dicarbonylacetylacetonato rhodium (I); 2-isopropoxy-1-methyl-3-phenyl-2,3-dihydro-1H-benzo[d][1,3]azaphosphole; hydrogen; toluene-4-sulfonic acid; In benzene; at 45 ℃; for 12h; under 20686.5 Torr;

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In water; tert-butyl alcohol; at 20 ℃; regioselective reaction;

DOI:10.1021/ja1036226

Reference yield: 62.0%

2-methyl-2-phenylbut-3-en-1-ol (114467-55-9) → 3-hydroxy-2-methyl-2-phenylpropanoic acid (4370-81-4)

Guidance literature:

2-methyl-2-phenylbut-3-en-1-ol; With ozone; In dichloromethane; at -78 ℃;

With formic acid; dihydrogen peroxide; In water; at 70 ℃; for 10h;

DOI:10.1002/adsc.200800158

upstream raw materials:

formaldehyd

hydratropic acid

ethyl 3-hydroxy-2-methyl-2-phenylpropanoate

2-methyl-2-phenylbut-3-en-1-ol

Downstream raw materials:

ethyl 3-hydroxy-2-methyl-2-phenylpropanoate

2-phenyl-2-(chloromethyl)propanoyl chloride

3-Hydroxy-2-methyl-2-phenylpropiohydroxamsaeure

2-(diethylamino)ethyl α-methyltropate