Benzyl 2-hydroxy-2-methylpropanoate

Base Information

• Chemical Name: Benzyl 2-hydroxy-2-methylpropanoate
• CAS No.: 19444-23-6
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID70552344
• Nikkaji Number: J1.892.339D
• Wikidata: Q82432523
• Mol file: 19444-23-6.mol

Synonyms:Benzyl 2-hydroxy-2-methylpropanoate;19444-23-6;Benzyl 2-Hydroxy-2-methylpropionate;MFCD21641337;Propanoic acid, 2-hydroxy-2-methyl-, phenylmethyl ester;Benzyl 2-hydroxyisobutyrate;SCHEMBL3756497;DTXSID70552344;KLUBEEQODOBJQB-UHFFFAOYSA-N;Benzyl2-hydroxy-2-methylpropanoate;AKOS022184120;DS-18112;SY018846;CS-0060866;A880195

Chemical Property of Benzyl 2-hydroxy-2-methylpropanoate

Chemical Property:

• PSA: 46.53000
• LogP: 1.50070
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

Benzyl2-Hydroxy-2-methylpropionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)OCC1=CC=CC=C1)O
• Uses: Benzyl 2-Hydroxy-2-methylpropionate is a useful chemical in organic synthesis.

Technology Process of Benzyl 2-hydroxy-2-methylpropanoate

There total 10 articles about Benzyl 2-hydroxy-2-methylpropanoate 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: 92.0%

2-methyllactic acid (594-61-6) + benzyl bromide (100-39-0) → benzyl 2-hydroxy-2-methylpropanoate (19444-23-6)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; sodium hydrogencarbonate; In dichloromethane; at 20 ℃; for 48h;

DOI:10.1016/S0040-4020(01)00339-8

Reference yield: 92.0%

benzyl methacrylate (2495-37-6,25085-83-0) → benzyl 2-hydroxy-2-methylpropanoate (19444-23-6)

Guidance literature:

With phenylsilane; oxygen; bis(dipivaloylmethanato)manganese(II); In isopropyl alcohol; at 0 ℃; for 1.5h; under 760 Torr;

DOI:10.1246/cl.1990.1869

Reference yield: 86.0%

2-hydroxyisobutyramide (13027-88-8) + benzyl alcohol (100-51-6,185532-71-2) → benzyl 2-hydroxy-2-methylpropanoate (19444-23-6)

Guidance literature:

With cerium(IV) oxide; In 1,3,5-trimethyl-benzene; at 165 ℃; for 22h; Inert atmosphere;

DOI:10.1039/c4ra07419j

upstream raw materials:

2-methyllactic acid

benzyl alcohol

α-Hydroxy-2-methylpropionic acid Na salt

benzyl chloride

Downstream raw materials:

benzyl methacrylate

α-ethoxy-isobutyric acid benzyl ester

5,5-dimethyl-4-benzyloxy-[5H]furan-2-one

benzyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate