Phenyl aminosalicylate

Base Information

• Chemical Name: Phenyl aminosalicylate
• CAS No.: 133-11-9
• Molecular Formula: C13H11NO3
• Molecular Weight: 229.235
• Hs Code.: 2922509090
• European Community (EC) Number: 205-092-8
• NSC Number: 755837,40144
• UNII: 52936SIP7V
• DSSTox Substance ID: DTXSID7021994
• Nikkaji Number: J5.582D
• Wikidata: Q27195393
• NCI Thesaurus Code: C66376
• Metabolomics Workbench ID: 150000
• ChEMBL ID: CHEMBL1200868
• Mol file: 133-11-9.mol

Synonyms:4-aminosalicylic acid phenyl ester;para-aminosalicylic acid phenyl ester;phenyl 4-aminosalicylate

Chemical Property of Phenyl aminosalicylate

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 3.48E-07mmHg at 25°C
• Melting Point: 150-152 °C(lit.)
• Refractive Index: 1.659
• Boiling Point: 406.384 °C at 760 mmHg
• PKA: 8.76±0.10(Predicted)
• Flash Point: 199.574 °C
• PSA: 72.55000
• Density: 1.321 g/cm³
• LogP: 2.77480
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 229.07389321
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Phenyl 4-Aminosalicylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O
• Uses: Phenyl 4-Aminosalicylate is a reactant in the synthesis of p-aminosalicylic ester imines with antitubercular activity. Antibacterial(tuberculostatic).
• Therapeutic Function: Antibacterial (tuberculostatic)

Technology Process of Phenyl aminosalicylate

There total 9 articles about Phenyl aminosalicylate 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:

phenyl 2-hydroxy-4-nitrobenzoate (62350-74-7) → Pheny-PAS-Tebamin (133-11-9)

Guidance literature:

With 1,4-dioxane; nickel; Hydrogenation;

Reference yield:

2-acetoxy-4-acetylamino-benzoic acid phenyl ester (93316-89-3) → Pheny-PAS-Tebamin (133-11-9)

Guidance literature:

With hydrogenchloride; acetic acid;

DOI:10.1021/ja01130a037

Reference yield:

4-Aminosalicylic acid (65-49-6) + phenol (108-95-2,27073-41-2) → Pheny-PAS-Tebamin (133-11-9)

Guidance literature:

With PPA;

upstream raw materials:

phenyl 2-hydroxy-4-nitrobenzoate

2-acetoxy-4-acetylamino-benzoic acid phenyl ester

4-Aminosalicylic acid

phenol

Downstream raw materials:

propyl 4-bromo-2-hydroxy benzoate

phenyl 4-bromo-2-hydroxybenzoate

phenyl 4-(((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)-2-hydroxybenzoate