2-Hydroxy-2-(p-tolyl)propanoic acid

Base Information

• Chemical Name: 2-Hydroxy-2-(p-tolyl)propanoic acid
• CAS No.: 70589-40-1
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• DSSTox Substance ID: DTXSID90971412
• Nikkaji Number: J2.756.018K
• Mol file: 70589-40-1.mol

Synonyms:2-hydroxy-2-(4-tolyl)propanoic acid;2-hydroxy-2-(4-tolyl)propanoic acid, (S)-isomer;2-hydroxy-2-(p-tolyl)propanoic acid

Chemical Property of 2-Hydroxy-2-(p-tolyl)propanoic acid

Chemical Property:

• Vapor Pressure: 2.84E-05mmHg at 25°C
• Boiling Point: 342.7°Cat760mmHg
• Flash Point: 175.2°C
• Density: 1.217g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(C)(C(=O)O)O

Technology Process of 2-Hydroxy-2-(p-tolyl)propanoic acid

There total 7 articles about 2-Hydroxy-2-(p-tolyl)propanoic 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: 90.0%

2-hydroxy-2-methyl-2-(4'-methylphenyl)acetonitrile (69813-74-7) → α-tolyl-α-hydroxypropionic acid (70589-40-1)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; Reflux;

DOI:10.1016/j.tet.2009.01.005

Reference yield: 58.0%

trichlorofluoromethane (75-69-4) + para-methylacetophenone (122-00-9) → (R,S)-2-(4'-methylphenyl) propionic acid (938-94-3) + (E)-2,3-di-(4'-methylphenyl)-but-2-ene (82817-94-5) + α-tolyl-α-hydroxypropionic acid (70589-40-1)

Guidance literature:

With lithium aluminium tetrahydride; titanium tetrachloride; In tetrahydrofuran; at -5 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)61527-7

Reference yield: 56.0%

carbon dioxide (124-38-9,18923-20-1) + para-methylacetophenone (122-00-9) → α-tolyl-α-hydroxypropionic acid (70589-40-1)

Guidance literature:

With Tetrapropylammonium chloride; In acetonitrile; at 20 ℃; for 10h; under 760.051 Torr; Electrochemical reaction;

DOI:10.14233/ajchem.2021.23090

upstream raw materials:

4-methylisopropylbenzene

chloroform

para-methylacetophenone

trichlorofluoromethane

Downstream raw materials:

(R,S)-2-(4'-methylphenyl) propionic acid

(R)-(-)-p-methyl atrolactic acid