p-Tolyl salicylate

Base Information

• Chemical Name: p-Tolyl salicylate
• CAS No.: 607-88-5
• Molecular Formula: C14H12 O3
• Molecular Weight: 228.247
• Hs Code.: 2918230000
• European Community (EC) Number: 210-144-8
• NSC Number: 60999
• UNII: 8S7I019XJF
• DSSTox Substance ID: DTXSID3047508
• Nikkaji Number: J62.749F
• Wikidata: Q27270959
• ChEMBL ID: CHEMBL2260698
• Mol file: 607-88-5.mol

Synonyms:p-cresyl salicylate

Chemical Property of p-Tolyl salicylate

Chemical Property:

• Melting Point: 38 °C
• Refractive Index: 1.5557 (estimate)
• Boiling Point: 310.05°C (rough estimate)
• Flash Point: 134.7oC
• PSA: 46.53000
• Density: 1.2196 (rough estimate)
• LogP: 2.91980
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

p-Tolyl Salicylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

Technology Process of p-Tolyl salicylate

There total 8 articles about p-Tolyl salicylate 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: 94.0%

2-(4-methylphenoxy)-benzoic acid (21905-69-1) → p-tolyl 2-hydroxybenzoate (607-88-5)

Guidance literature:

With dipotassium hydrogenphosphate; Lumogen F Orange 240; In acetonitrile; at 40 ℃; for 26h; Irradiation; Inert atmosphere;

DOI:10.1002/anie.201706597

Reference yield: 93.0%

p-cresol (106-44-5) + 2-(trifluoromethyl)phenol (444-30-4) → p-tolyl 2-hydroxybenzoate (607-88-5)

Guidance literature:

With water; potassium carbonate; In toluene; at 120 ℃; for 12h;

DOI:10.1016/j.tetlet.2021.153592

Reference yield: 79.0%

2-(4'-methylphenoxy)benzaldehyde (19434-35-6) → p-tolyl 2-hydroxybenzoate (607-88-5)

Guidance literature:

With 2-pentafluorophenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; 1,4-diaza-bicyclo[2.2.2]octane; oxygen; sodium iodide; 9-(2-mesityl)-10-methylacridinium perchlorate; In dichloromethane; at 20 ℃; for 36h; Reagent/catalyst; Solvent; Schlenk technique; Irradiation;

DOI:10.1039/c9cc09272b

upstream raw materials:

p-cresol

salicylic acid

2-(4-methylphenoxy)-benzoic acid

2-(4-methylphenoxy)benzonitrile

Downstream raw materials:

2,2'-dihydroxy-5-methyl-benzophenone

5-bromo-2-hydroxy-benzoic acid p-tolyl ester

2-Allyloxy-benzoic acid p-tolyl ester

2-Carbamoyloxy-benzoic acid p-tolyl ester