tert-butyl 3-methylbenzoate

Base Information

• Chemical Name: tert-butyl 3-methylbenzoate
• CAS No.: 16537-19-2
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• Mol file: 16537-19-2.mol

Synonyms:m-Toluic acid, tert-butyl ester(6CI,8CI); NSC 38145; Trimethylcarbinol-m-toluate

Chemical Property of tert-butyl 3-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Boiling Point: 259.3°Cat760mmHg
• Flash Point: 113.8°C
• Density: 0.995g/cm³

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-butyl 3-methylbenzoate

There total 10 articles about tert-butyl 3-methylbenzoate 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%

tert-butyl 4-bromo-3-methylbenzoate (347174-28-1) → tert-butyl m-methylbenzoate (16537-19-2)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; ethyl acetate; for 5h;

Reference yield: 88.0%

carbon monoxide (201230-82-2) + 1-amino-3-methylbenzene (108-44-1) + tert-butyl alcohol (75-65-0) → tert-butyl m-methylbenzoate (16537-19-2)

Guidance literature:

1-amino-3-methylbenzene; With tetrafluoroboric acid; acetic acid; isopentyl nitrite; In water; at 20 ℃; for 0.0833333h;

carbon monoxide; tert-butyl alcohol; With Eosin Y; at 18 ℃; for 4h; under 37503.8 Torr; Inert atmosphere; Darkness; Irradiation;

DOI:10.1002/anie.201408516

Reference yield: 65.0%

carbon monoxide (201230-82-2) + 3-Iodotoluene (625-95-6) + potassium tert-butylate (865-47-4) → tert-butyl m-methylbenzoate (16537-19-2)

Guidance literature:

With 1,10-Phenanthroline; In benzene; at 90 ℃; for 24h; under 45603.1 Torr; Autoclave;

DOI:10.1002/anie.201206518

upstream raw materials:

isobutene

m-Toluic acid

tert-butyl 4-bromo-3-methylbenzoate

3-Methylbenzoyl chloride

Downstream raw materials:

1,1-dimethylethyl 3-bromomethylbenzoate