o-Tolyl 3-methylsalicylate

Base Information

• Chemical Name: o-Tolyl 3-methylsalicylate
• CAS No.: 85006-08-2
• Molecular Formula: C15H14O3
• Molecular Weight: 242.274
• Hs Code.: 2918290000
• European Community (EC) Number: 285-038-8
• UNII: 6Y78C3Y635
• DSSTox Substance ID: DTXSID40234064
• Nikkaji Number: J309.581I
• Wikidata: Q83115775
• Mol file: 85006-08-2.mol

Synonyms:o-Tolyl 3-methylsalicylate;85006-08-2;EINECS 285-038-8;6Y78C3Y635;UNII-6Y78C3Y635;DTXSID40234064;2-Hydroxy-3-methylbenzoic acid 2-methylphenyl ester;Benzoic acid,2-hydroxy-3-methyl-,2-methylphenyl ester;Benzoic acid, 2-hydroxy-3-methyl-, 2-methylphenyl ester

Chemical Property of o-Tolyl 3-methylsalicylate

Chemical Property:

• Vapor Pressure: 5.68E-07mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 400 °C at 760 mmHg
• Flash Point: 169.9 °C
• PSA: 46.53000
• Density: 1.188 g/cm³
• LogP: 3.22820
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(=O)OC2=CC=CC=C2C)O

Technology Process of o-Tolyl 3-methylsalicylate

There total 3 articles about o-Tolyl 3-methylsalicylate 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: 81.0%

carbon monoxide (201230-82-2) + ortho-cresol (95-48-7,77504-84-8) → o-tolyl 2-hydroxy-3-methylbenzoate (85006-08-2)

Guidance literature:

With rhodium(III) chloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; 1,2-bis-(dicyclohexylphosphino)ethane; In 1,4-dioxane; toluene; at 120 ℃; for 24h; under 4500.45 Torr; Molecular sieve; Autoclave;

DOI:10.1021/acs.orglett.0c02133

Reference yield:

phosgene (75-44-5) + ortho-cresol (95-48-7,77504-84-8) → o-tolyl 2-hydroxy-3-methylbenzoate (85006-08-2)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1055/s-1988-27701

Reference yield:

→ o-tolyl 2-hydroxy-3-methylbenzoate (85006-08-2)

Guidance literature:

/BRN= 3288749/;

upstream raw materials:

phosgene

ortho-cresol

carbon monoxide

Downstream raw materials:

3-methylsalicylic acid

ortho-cresol