Benzyl Methyl Carbonate

Base Information

• Chemical Name: Benzyl Methyl Carbonate
• CAS No.: 13326-10-8
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• DSSTox Substance ID: DTXSID30928021
• Nikkaji Number: J465.276B
• Mol file: 13326-10-8.mol

Synonyms:Benzyl Methyl Carbonate;13326-10-8;Carbonic acid, methyl phenylmethyl ester;benzylmethylcarbonat;starbld0045513;SCHEMBL1549936;Carbonic acid methylbenzyl ester;DTXSID30928021

Chemical Property of Benzyl Methyl Carbonate

Chemical Property:

• Boiling Point: 230.972 °C at 760 mmHg
• Flash Point: 85.706 °C
• PSA: 35.53000
• Density: 1.118 g/cm³
• LogP: 1.96960
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)OCC1=CC=CC=C1
• Uses: Benzyl Methyl Carbonate is used in designing of inhibitors for serine and thiol proteases.

Technology Process of Benzyl Methyl Carbonate

There total 20 articles about Benzyl Methyl 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: 99.0%

carbonic acid dimethyl ester (616-38-6) + benzyl alcohol (100-51-6,185532-71-2) → benzyl methyl carbonate (13326-10-8)

Guidance literature:

carbonic acid dimethyl ester; With lanthanum(III) isopropoxide; 2-(2-methoxyethoxy)ethyl alcohol; at 20 ℃;

benzyl alcohol; for 1h; chemoselective reaction; Reflux;

DOI:10.1021/ol102754y

Reference yield: 97.0%

methyl chloroformate (79-22-1) + benzyl alcohol (100-51-6,185532-71-2) → benzyl methyl carbonate (13326-10-8)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.tet.2010.07.067

Reference yield: 97.0%

methanol (67-56-1) + C15H18N4O3 → BrH*C7H11BrN4O + benzyl methyl carbonate (13326-10-8)

Guidance literature:

With bromine; at 12 ℃; for 0h; Inert atmosphere; Darkness;

DOI:10.1038/nchem.1072

upstream raw materials:

methyl chloroformate

benzyl alcohol

N-benzyloxycarbonyl-2-amino-3-phenylpropionaldehyde

trimethyl ethoxyethyloxyphosphonoacetate

Downstream raw materials:

(benzyloxy)benzene

methoxybenzene

dimethyl O-methylbenzyltartronate

N,N-di-n-butylbenzylamine