Tert-butyl 2-methylphenyl carbonate

Base Information

• Chemical Name: Tert-butyl 2-methylphenyl carbonate
• CAS No.: 95932-31-3
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• DSSTox Substance ID: DTXSID20540812
• Nikkaji Number: J3.594.612H
• Mol file: 95932-31-3.mol

Synonyms:tert-butyl 2-methylphenyl carbonate;95932-31-3;SCHEMBL20382703;DTXSID20540812;AKOS008227772

Chemical Property of Tert-butyl 2-methylphenyl carbonate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC(=O)OC(C)(C)C

Technology Process of Tert-butyl 2-methylphenyl carbonate

There total 2 articles about Tert-butyl 2-methylphenyl carbonate 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: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + ortho-cresol (95-48-7,77504-84-8) → 1,1-dimethylethyl 2-methylphenyl carbonate (95932-31-3)

Guidance literature:

With mesoporous silica MCM-41 supported erbium(III); at 40 ℃; for 1.5h; Neat (no solvent); ultrasound irradiation; Inert atmosphere;

DOI:10.1039/c0gc00728e

Reference yield:

carbon monoxide (201230-82-2) + di-tert-butyl dicarbonate (24424-99-5) → 1,1-dimethylethyl 2-methylphenyl carbonate (95932-31-3)

Guidance literature:

Multistep reaction;

DOI:10.1055/s-2002-35598

Reference yield: 97.0%

1,1-dimethylethyl 2-methylphenyl carbonate (95932-31-3) → ortho-cresol (95-48-7,77504-84-8)

Guidance literature:

With erbium(III) triflate; In ethanol; for 25h; Microwave irradiation;

DOI:10.1039/c0gc00728e

upstream raw materials:

di-tert-butyl dicarbonate

ortho-cresol

carbon monoxide

Downstream raw materials:

ortho-cresol

2‐(azidomethyl)phenol