3-(2H-TETRAZOL-5-YL)-BENZOIC ACID

Base Information

• Chemical Name: 3-(2H-TETRAZOL-5-YL)-BENZOIC ACID
• CAS No.: 73096-39-6
• Molecular Formula: C8H6N4O2
• Molecular Weight: 190.161
• Hs Code.: 2933990090
• Mol file: 73096-39-6.mol

Synonyms:Benzoicacid, 3-(1H-tetrazol-5-yl)- (9CI);3-(1H-Tetrazol-5-yl)benzoic acid;3-(5-Tetrazolyl)benzoic acid;5-(m-Carboxyphenyl)tetrazole;NSC 338094;

Chemical Property of 3-(2H-TETRAZOL-5-YL)-BENZOIC ACID

Chemical Property:

• Vapor Pressure: 1.14E-10mmHg at 25°C
• Melting Point: 284-286 °C
• Refractive Index: 1.664
• Boiling Point: 496.4 °C at 760 mmHg
• Flash Point: 254 °C
• PSA: 91.76000
• Density: 1.518 g/cm³
• LogP: 0.56490
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

99.5% ^*data from raw suppliers

3-(1H-Tetrazol-5-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-(1H-Tetrazol-5-yl)benzoic Acid is a useful reactant in organic synthesis.

Technology Process of 3-(2H-TETRAZOL-5-YL)-BENZOIC ACID

There total 7 articles about 3-(2H-TETRAZOL-5-YL)-BENZOIC 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:

sodium 3-cyanobenzoate (16885-79-3) → 3-(1H-tetrazol-5-yl)benzoic acid (73096-39-6)

Guidance literature:

sodium 3-cyanobenzoate; With sodium azide; zinc(II) chloride; In water; at 140 ℃; for 72h; Autoclave;

With hydrogenchloride; In water;

Reference yield:

3-Cyanobenzoic acid (1877-72-1) + acetyl chloride (75-36-5) → 3-(1H-tetrazol-5-yl)benzoic acid (73096-39-6)

Guidance literature:

With N₂; In methanol;

Reference yield:

methyl 3-(1H-tetrazol-5-yl)benzoate (148345-63-5) → 3-(1H-tetrazol-5-yl)benzoic acid (73096-39-6)

Guidance literature:

With sodium hydroxide; In methanol; water; Inert atmosphere;

DOI:10.1002/cmdc.201200334

upstream raw materials:

3-Cyanobenzoic acid

acetyl chloride

methyl 3-cyanobenzoate

methyl 3-(1H-tetrazol-5-yl)benzoate

Downstream raw materials:

C₁₅H₁₂FN₅O

tert-butyl 4-((2-(2-(3-(1H-tetrazol-5-yl)benzamido)phenyl)thiazolo[5,4-b]pyridin-6-yl)methyl)piperazine-1-carboxylate

Refernces

• 1、 Aiello, Francesca,Shabaik, Yumna,Esqueda, Adrian,Sanchez, Tino W.,Grande, Fedora,Garofalo, Antonio,Neamati, Nouri. "Design and Synthesis of 3-Carbamoylbenzoic Acid Derivatives as Inhibitors of Human Apurinic/Apyrimidinic Endonuclease 1 (APE1)". . p. 1825 - 1839. Retrieved 2012/10/30.
• 2、 -. "TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS". . . Retrieved 2008/06/13.