ISOBUTYRIC ACID, alpha-HYDROXY-, 2-PHENYLETHYL ESTER

Base Information

• Chemical Name: ISOBUTYRIC ACID, alpha-HYDROXY-, 2-PHENYLETHYL ESTER
• CAS No.: 10290-01-4
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID20145563
• Nikkaji Number: J41.084E
• Wikidata: Q83010136
• Mol file: 10290-01-4.mol

Synonyms:10290-01-4;2-phenylethyl 2-hydroxy-2-methylpropanoate;alpha-Hydroxyisobutyric acid 2-phenylethyl ester;2-Phenylethyl alpha-hydroxyisobutyrate;BRN 2722272;2-Hydroxy-2-methylpropanoic acid 2-phenylethyl ester;ISOBUTYRIC ACID, alpha-HYDROXY-, 2-PHENYLETHYL ESTER;2-Fenylethylester kyseliny alpha-hydroxyisomaselne [Czech];2-Fenylethylester kyseliny alpha-hydroxyisomaselne;2-hydroxy-2-methyl-propionic acid phenethyl ester;3-06-00-01712 (Beilstein Handbook Reference);DTXSID20145563;2-PHENYLETHYL A-HYDROXYISOBUTYRATE;LS-84402;Propanoic acid, 2-hydroxy-2-methyl-, 2-phenylethyl ester

Chemical Property of ISOBUTYRIC ACID, alpha-HYDROXY-, 2-PHENYLETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.00017mmHg at 25°C
• Boiling Point: 316.6°Cat760mmHg
• PKA: 13.07±0.29(Predicted)
• Flash Point: 129.7°C
• PSA: 46.53000
• Density: 1.1g/cm³
• LogP: 1.54320
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-PHENYLETHYL ALPHA-HYDROXYISOBUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)OCCC1=CC=CC=C1)O

Technology Process of ISOBUTYRIC ACID, alpha-HYDROXY-, 2-PHENYLETHYL ESTER

There total 1 articles about ISOBUTYRIC ACID, alpha-HYDROXY-, 2-PHENYLETHYL ESTER 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:

2-methyllactic acid (594-61-6) + 2-phenylethanol (60-12-8) → 2-phenylethyl 2-hydroxy-2-methylpropionate (10290-01-4)

Guidance literature:

With toluene-4-sulfonic acid; at 190 - 210 ℃;

Reference yield: 78.0%

2-phenylethyl 2-hydroxy-2-methylpropionate (10290-01-4) → 2-phenylethyl 2-fluoro-2-methylpropionate

Guidance literature:

With 4,4'-diaminostilbene-2,2'-disulfonic acid; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1016/S0040-4020(00)00351-3

Reference yield:

2-phenylethyl 2-hydroxy-2-methylpropionate (10290-01-4) → 2-phenylethyl methacrylate (3683-12-3,28825-60-7)

Guidance literature:

With phosphorus pentoxide; benzene;

upstream raw materials:

2-methyllactic acid

2-phenylethanol

Downstream raw materials:

2-phenylethyl methacrylate