Fosfosal

Base Information

• Chemical Name: Fosfosal
• CAS No.: 6064-83-1
• Molecular Formula: C7H7 O6 P
• Molecular Weight: 218.103
• Hs Code.: 2931900090
• European Community (EC) Number: 227-993-5
• NSC Number: 758155,46475
• UNII: 124X2V25W4
• DSSTox Substance ID: DTXSID9045394
• Nikkaji Number: J8.342I
• Wikidata: Q27166397
• NCI Thesaurus Code: C65760
• ChEMBL ID: CHEMBL287275
• Mol file: 6064-83-1.mol

Synonyms:2-carboxyphenylphosphoric acid;2-phosphonoxybenzoic acid;Aydolid;Disdolen;fosfosal;o-carboxyphenyl phosphate;o-carboxyphenylphosphate;o-carboxyphenylphosphoric acid;o-cpp cpd;Protalgia

Chemical Property of Fosfosal

Chemical Property:

• Vapor Pressure: 4.11E-10mmHg at 25°C
• Melting Point: 162-166°C
• Boiling Point: 482.3°C at 760 mmHg
• PKA: 1.06±0.30(Predicted)
• Flash Point: 245.5°C
• PSA: 113.87000
• Density: 1.695±0.06 g/cm3(Predicted)
• LogP: 0.85630
• Storage Temp.: −20°C
• Water Solubility.: Soluble in water.
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 217.99802494
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

98% ^*data from raw suppliers

2-(Phosphonooxy)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)OP(=O)(O)O
• Description: Fosfosal is a highly water soluble salicylate useful in the treatment of musculoskeletal and arthritic pain. Unlike aspirin, it does not inhibit prostaglandin synthesis or platelet aggregation.
• Uses: 2-Carboxyphenyl phosphate is used as a substrate for the estimation of acid phosphatase. It is also used as a analgesic, anti-inflammatory agent. analgesic, antiinflammatory

Technology Process of Fosfosal

There total 15 articles about Fosfosal 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:

bis-(2-carboxyphenyl) hydrogen phosphate (87799-86-8) → 2-phosphonooxybenzoic acid (6064-83-1) + salicylic acid (69-72-7,25496-36-0,8052-31-1)

Guidance literature:

With hydrogenchloride; potassium chloride; at 39 ℃; Rate constant; Equilibrium constant; Mechanism; different reaction conditions and pH-s;

DOI:10.1039/P29830001171

Reference yield:

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 2-phosphonooxybenzoic acid (6064-83-1)

Guidance literature:

With phosphorus pentachloride; anschliessend mit H₂O in Aceton und Benzol behandeln;

DOI:10.1021/ja01137a030

Reference yield:

1-hydroxy-4,5-benzo-2,6-dioxaphosphorinanone(3)-1-oxide (91746-64-4) → 2-phosphonooxybenzoic acid (6064-83-1)

Guidance literature:

With MOPS buffer pH=7.5; water; at 25 ℃; Rate constant;

DOI:10.1021/ja973313b

upstream raw materials:

2-dichlorophosphoryloxy-benzoyl chloride

salicylic acid

dichlorotriphenoxyphosphorane

salicyloyl chloride

Downstream raw materials:

salicylic acid

phosphoric acid

Refernces

• 1、 Deprez, Pierre,Mandine, Eliane,Gofflo, Dominique,Meunier, Stephane,Lesuisse, Dominique. "Small ligands interacting with the phosphotyrosine binding pocket of the Src SH2 protein". . p. 1295 - 1298. Retrieved 2007/10/03.
• 2、 Pratt,Hammar, Ned J.. "Salicyloyl cyclic phosphate, a 'penicillin-like' inhibitor of β- lactamases". . p. 3004 - 3006. Retrieved 2007/10/03.