3-Hydroxy-2,2-dimethyl-3-phenylpropanoic acid

Base Information

• Chemical Name: 3-Hydroxy-2,2-dimethyl-3-phenylpropanoic acid
• CAS No.: 23985-59-3
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID90369355
• Nikkaji Number: J1.277.250E
• Mol file: 23985-59-3.mol

Synonyms:23985-59-3;3-hydroxy-2,2-dimethyl-3-phenylpropanoic acid;Benzenepropanoic acid, b-hydroxy-a,a-dimethyl-;SCHEMBL60356;DTXSID90369355;AKOS011683941;FT-0755280;Benzenepropanoic acid,b-hydroxy-a,a-dimethyl-;2,2-Dimethyl-3-hydroxy-3-phenylpropanoic acid

Chemical Property of 3-Hydroxy-2,2-dimethyl-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 4.42E-05mmHg at 25°C
• Melting Point: 134-137oC
• Boiling Point: 336.4°Cat760mmHg
• Flash Point: 171.4°C
• PSA: 57.53000
• Density: g/cm³
• LogP: 1.83080
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

99%min ^*data from raw suppliers

3-HYDROXY-2,2-DIMETHYL-3-PHENYLPROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxy-2,2-dimethyl-3-phenylpropanoic acid

There total 21 articles about 3-Hydroxy-2,2-dimethyl-3-phenylpropanoic 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: 86.0%

1,1-bis(trimethylsiloxy)-2-methylprop-1-ene (31469-25-7) + benzaldehyde (100-52-7) → 3-hydroxy-2,2-dimethyl-3-phenylpropanoic acid (23985-59-3)

Guidance literature:

With titanium tetrachloride; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1016/S0040-4039(01)81183-7

Reference yield: 85.0%

ethyl 3-hydroxy-2,2-dimethyl-3-phenylpropanoate (52178-65-1,133270-73-2,35022-34-5) → 3-hydroxy-2,2-dimethyl-3-phenylpropanoic acid (23985-59-3)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol; at 0 - 20 ℃; for 10h; Inert atmosphere;

DOI:10.1021/jo300139r

Reference yield: 75.3%

1,1-bis(trimethylsiloxy)-2-methylprop-1-ene (31469-25-7) → 3-hydroxy-2,2-dimethyl-3-phenylpropanoic acid (23985-59-3)

Guidance literature:

With benzaldehyde;

upstream raw materials:

ethyl 3-hydroxy-2,2-dimethyl-3-phenylpropanoate

3-acetoxy-2,2-dimethyldihydrocinnamic acid

2-Methylpropionic anhydride

benzaldehyde

Downstream raw materials:

(2-methyl-1-propenyl)-benzene

3-bromo-2,2-dimethyl-3-phenyl-propionic acid

3-hydroxy-2,2-dimethyl-3-phenyl-propionic acid

3-acetoxy-2,2-dimethyldihydrocinnamic acid