CARBAMIC ACID, m-TOLYL ESTER

Base Information

• Chemical Name: CARBAMIC ACID, m-TOLYL ESTER
• CAS No.: 33222-69-4
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• DSSTox Substance ID: DTXSID10186869
• Nikkaji Number: J67.110J
• Wikidata: Q83058283

Synonyms:CARBAMIC ACID, m-TOLYL ESTER;m-Tolyl carbamate;3-Methylphenyl carbamate;33222-69-4;Carbamic acid, 3-methylphenyl ester;BRN 1941116;2-06-00-00353 (Beilstein Handbook Reference);5-methylphenyl carbamate);Carbamic acid m-tolyl ester;SCHEMBL5700033;DTXSID10186869;LS-50675

Chemical Property of CARBAMIC ACID, m-TOLYL ESTER

Chemical Property:

• Vapor Pressure: 0.00121mmHg at 25°C
• Boiling Point: 299.2°C at 760 mmHg
• Flash Point: 164.7°C
• Density: 1.158g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OC(=O)N

Technology Process of CARBAMIC ACID, m-TOLYL ESTER

There total 4 articles about CARBAMIC ACID, m-TOLYL 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: 83.0%

potassium cyanate (590-28-3) + 3-methyl-phenol (108-39-4) → 3-methylphenyl carbamate (33222-69-4)

Guidance literature:

With para-dodecylbenzenesulfonic acid; In neat (no solvent); at 60 ℃; for 0.75h; Green chemistry;

DOI:10.1039/c5ra14528g

Reference yield: 45.0%

3-methyl-phenol (108-39-4) + urea (57-13-6) → 3-methylphenyl carbamate (33222-69-4)

Guidance literature:

With cholin chloride ZnCl₂; iron oxide; at 130 ℃; for 6h; Green chemistry;

DOI:10.1002/ejoc.201800581

Reference yield:

carbamic chloride (463-72-9) + 3-methyl-phenol (108-39-4) → 3-methylphenyl carbamate (33222-69-4)

Guidance literature:

upstream raw materials:

carbamic chloride

3-methyl-phenol

potassium cyanate

urea

Downstream raw materials:

3-methyl-phenol

isocyanuric acid

4-methyl-3H-benzooxazol-2-one

6-methylbenzoxazolin-2-one

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