3-Methylphenyl methanesulfonate

Base Information

• Chemical Name: 3-Methylphenyl methanesulfonate
• CAS No.: 1077-02-7
• Molecular Formula: C8H10O3S
• Molecular Weight: 186.232
• DSSTox Substance ID: DTXSID40554335
• Nikkaji Number: J1.135.793H
• Wikidata: Q82435290
• Mol file: 1077-02-7.mol

Synonyms:3-Methylphenyl methanesulfonate;1077-02-7;(3-methylphenyl) methanesulfonate;Methanesulfonic acid, 3-methylphenyl ester;m-tolyl methanesulfonate;SCHEMBL4599461;DTXSID40554335

Chemical Property of 3-Methylphenyl methanesulfonate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.03506535
• Heavy Atom Count: 12
• Complexity: 227

Purity/Quality:

97% purity ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methylphenyl methanesulfonate

There total 4 articles about 3-Methylphenyl methanesulfonate 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: 100.0%

methanesulfonyl chloride (124-63-0) + 3-methyl-phenol (108-39-4) → 3-methylphenyl methanesulfonate (1077-02-7)

Guidance literature:

With triethylamine; In ethyl acetate; at 0 - 20 ℃; for 0.166667h; Green chemistry;

DOI:10.1055/s-0034-1378867

Reference yield: 86.0%

methanesulfonic acid (75-75-2,98527-29-8) + 1-methoxy-3-methyl-benzene (100-84-5) → 3-methylphenyl methanesulfonate (1077-02-7)

Guidance literature:

methanesulfonic acid; 1-methoxy-3-methyl-benzene; at 80 ℃; for 14h;

With phosphorus pentoxide; at 80 ℃; for 2h;

DOI:10.1055/s-0029-1216790

Reference yield: 79.0%

methanesulfonic acid (75-75-2,98527-29-8) + C6H4S2O4N(1-)*N2C6H5CH2(1+) → 3-methylphenyl methanesulfonate (1077-02-7)

Guidance literature:

at 60 ℃; for 3h;

DOI:10.1055/s-1999-3696

upstream raw materials:

methanesulfonyl chloride

3-methyl-phenol

methanesulfonic acid

1-methoxy-3-methyl-benzene

Downstream raw materials:

Methanesulfonyl-methanesulfonic acid m-tolyl ester

3-methyl-4'-nitrodiphenyl ether

2-(3'-methylphenoxy)nitrobenzene

2-(3-methyl-phenyl)-5,5-dimethyl-[1,3,2]dioxaborinane