4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOIC ACID

Base Information

• Chemical Name: 4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOIC ACID
• CAS No.: 34114-12-0
• Molecular Formula: C8H6N4O2
• Molecular Weight: 190.161
• Hs Code.: 2933990090
• Mol file: 34114-12-0.mol

Synonyms:4-(1H-Tetrazol-5-yl)benzoic acid;5-(4-Carboxyphenyl)tetrazole;Benzoic acid, p-tetrazol-5-yl- (6CI);Benzoic acid, p-1H-tetrazol-5-yl- (8CI);Benzoicacid, 4-(1H-tetrazol-5-yl)- (9CI);5-(p-Carboxyphenyl)tetrazole;NSC 282009;4-(2H-Tetrazol-5-yl)benzoic acid;

Chemical Property of 4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOIC ACID

Chemical Property:

• Vapor Pressure: 0.401mmHg at 25°C
• Melting Point: 248-250 °C
• Boiling Point: 467.5 °C at 760 mmHg
• PKA: 3?+-.0.10(Predicted)
• Flash Point: 236.5 °C
• PSA: 91.76000
• Density: 1.518 g/cm³
• LogP: 0.56490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(1H-Tetrazol-5-yl)benzoic acid 96% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOIC ACID

There total 8 articles about 4-(2H-1,2,3,4-TETRAAZOL-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: 98.0%

4-cyanobenzoic Acid (619-65-8,333406-09-0) → 4-(1H-tetrazol-5-yl)benzoic acid (34114-12-0)

Guidance literature:

With sodium azide; tetrabutylammomium bromide; at 105 ℃; for 5h; Sealed tube; Green chemistry;

DOI:10.3184/174751913X13812404042931

Reference yield:

methyl 4-(1H-tetrazole-5-yl)benzoate (82544-82-9) → 4-(1H-tetrazol-5-yl)benzoic acid (34114-12-0)

Guidance literature:

methyl 4-(1H-tetrazole-5-yl)benzoate; With methanol; sodium hydroxide; water; at 20 ℃; for 2h;

With hydrogenchloride; In water;

Reference yield:

4-cyanobenzoic Acid (619-65-8,333406-09-0) → 4-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid (34114-12-0)

Guidance literature:

With sodium azide; ammonium chloride; In N,N-dimethyl-formamide; at 100 - 110 ℃; for 18h;

DOI:10.1021/jm00386a019

upstream raw materials:

methyl 4-(1H-tetrazole-5-yl)benzoate

4-cyanobenzoic Acid

5-tetrazole

Refernces

• 1、 -. "PROCESS FOR PREPARING 5-SUBSTITUTED-1H-TETRAZOLES IN AQUEOUS BETAINE SOLUTION". Paragraph 0103-0108. . Retrieved 2020/06/13.
• 2、 Chrétien, Jean-Mathieu,Kerric, Gaelle,Zammattio, Fran?oise,Galland, Nicolas,Paris, Michael,Quintard, Jean-Paul,Le Grognec, Erwan. "Tin-Catalyzed Synthesis of 5-Substituted 1H-Tetrazoles from Nitriles: Homogeneous and Heterogeneous Procedures". supporting information. p. 747 - 757. Retrieved 2019/01/04.