2-(4-Methylphenyl)sulfonyloxybenzoic acid

Base Information

• Chemical Name: 2-(4-Methylphenyl)sulfonyloxybenzoic acid
• CAS No.: 82745-72-0
• Molecular Formula: C14H12O5S
• Molecular Weight: 292.312
• Hs Code.: 2918990090
• NSC Number: 75689
• DSSTox Substance ID: DTXSID00291456
• Nikkaji Number: J329.960K
• Wikidata: Q82029418
• Mol file: 82745-72-0.mol

Synonyms:2-(4-methylphenyl)sulfonyloxybenzoic acid;82745-72-0;2-{[(4-methylphenyl)sulfonyl]oxy}benzoic acid;NSC75689;2-(Tosyloxy)benzoic acid;2-[(4-METHYLBENZENESULFONYL)OXY]BENZOIC ACID;SCHEMBL3976179;DTXSID00291456;Salicylic acid, p-toluenesulfonate;2-(p-tolylsulfonyloxy)benzoic acid;NSC-75689;EN300-7056151

Chemical Property of 2-(4-Methylphenyl)sulfonyloxybenzoic acid

Chemical Property:

• Vapor Pressure: 2.37E-10mmHg at 25°C
• Boiling Point: 488.4°Cat760mmHg
• Flash Point: 249.2°C
• PSA: 89.05000
• Density: 1.379g/cm³
• LogP: 3.54170
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 292.04054465
• Heavy Atom Count: 20
• Complexity: 431

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Methylphenyl)sulfonyloxybenzoic acid

There total 8 articles about 2-(4-Methylphenyl)sulfonyloxybenzoic acid 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: 99.0%

2-formylphenyl tosylate (19820-56-5) → 2-(((4-methylphenyl)sulfonyl)oxy)benzoic acid (82745-72-0)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide; sodium sulfite; In water; acetonitrile; Inert atmosphere;

DOI:10.3987/COM-17-S(T)6

Reference yield: 96.0%

methyl 2-{[(4-methylphenyl)sulfonyl]oxy}benzoate (51207-44-4) → 2-(((4-methylphenyl)sulfonyl)oxy)benzoic acid (82745-72-0)

Guidance literature:

With iodine; aluminium; In acetonitrile; at 80 ℃; for 18h;

DOI:10.1021/acs.joc.1c00034

Reference yield: 52.0%

p-toluenesulfonyl chloride (98-59-9) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2-(((4-methylphenyl)sulfonyl)oxy)benzoic acid (82745-72-0)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; Inert atmosphere; Glovebox;

DOI:10.1021/jacs.7b13305

upstream raw materials:

p-toluenesulfonyl chloride

salicylic acid

potassium 2-[[(4-methylphenyl)sulfonyl]oxy]benzoate

salicylaldehyde

Downstream raw materials:

furan-2-carboxylic acid phenyl ester

potassium 2-[[(4-methylphenyl)sulfonyl]oxy]benzoate

Sodium; 2-(toluene-4-sulfonyloxy)-benzoate

1,2,3,4-tetraphenylnaphthalene