Benzotriazole-5-carboxylic acid

Base Information

• Chemical Name: Benzotriazole-5-carboxylic acid
• CAS No.: 23814-12-2
• Molecular Formula: C7H5N3O2
• Molecular Weight: 163.136
• Hs Code.: 29339900
• Mol file: 23814-12-2.mol

Synonyms:1H-Benzotriazole-5-carboxylicacid (8CI,9CI);1,2,3-Benzotriazole-5-carboxylic acid;1H-1,2,3-Benzotriazole-5-carboxylic acid;1H-1,2,3-Benzotriazole-6-carboxylicacid;3H-Benzotriazole-5-carboxylic acid;5-Carboxybenzotriazole;1H-Benzotriazole-6-carboxylicacid;

Chemical Property of Benzotriazole-5-carboxylic acid

Chemical Property:

• Appearance/Colour: light yellow power light yellow power
• Vapor Pressure: 4.18E-09mmHg at 25°C
• Melting Point: 305 °C
• Refractive Index: 1.763
• Boiling Point: 455.9 °C at 760 mmHg
• PKA: 3.47±0.30(Predicted)
• Flash Point: 229.5 °C
• PSA: 78.87000
• Density: 1.617 g/cm³
• LogP: 0.65610
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: slightly sol. in Dimethylformamide

Purity/Quality:

99% ^*data from raw suppliers

Benzotriazole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: Benzotriazole-5-carboxylic acid (cas# 23814-12-2) is a useful research chemical. Benzotriazole-5-carboxylic acid was used as bifunctional ligand in solvent induced synthesis of diverse dimensional coordination assemblies of cupric benzotriazole-5-carboxylate. It was also used in hydrothermal synthesis of new coordination polymer, [Zn(Btca)(Phen)]n (H2Btca = benzotriazole-5-carboxylic acid, Phen = 1,10-phenanthroline).

Technology Process of Benzotriazole-5-carboxylic acid

There total 43 articles about Benzotriazole-5-carboxylic 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: 91.0%

3,4-diaminobenzoic acid (619-05-6) → 1h-benzotriazole-5-carboxylic acid (23814-12-2)

Guidance literature:

With acetic acid; sodium nitrite; In water; at 0 - 5 ℃; Product distribution / selectivity; Cooling with ice-salt;

Reference yield:

1H-benzotriazole-5-carboxylic acid sec.-butyl ester (120778-06-5) → 1h-benzotriazole-5-carboxylic acid (23814-12-2) + iso-butanol (78-92-2,15892-23-6)

Guidance literature:

With sodium hydroxide; at 37 ℃; Rate constant; Thermodynamic data; various temp.; also in phosphate buffer (pH 7.4) or enzyme catalyzed (microsomal hog liver esterase); energy of activation;

DOI:10.1002/ardp.19893220207

Reference yield:

1H-benzotriazole-5-carboxylic acid n-propyl ester (120778-03-2) → propan-1-ol (71-23-8) + 1h-benzotriazole-5-carboxylic acid (23814-12-2)

Guidance literature:

With sodium hydroxide; at 37 ℃; Rate constant; Thermodynamic data; various temp.; also in phosphate buffer (pH 7.4) or enzyme catalyzed (microsomal hog liver esterase); energy of activation;

DOI:10.1002/ardp.19893220207

upstream raw materials:

5⁽⁶⁾-methylbenzotriazole

methanol

ethanol

acetic acid

Downstream raw materials:

1H-Benzotriazole-5-carboxylic acid methyl ester

1H-1,2,3-triazole-4,5-dicarboxylic acid

Refernces

• 1、 Hermane, Jekaterina,Eichner, Simone,Mancuso, Lena,Schr?der, Benjamin,Sasse, Florenz,Zeilinger, Carsten,Kirschning, Andreas. "New geldanamycin derivatives with anti Hsp properties by mutasynthesis". supporting information. p. 5269 - 5278. Retrieved 2019/06/07.
• 2、 -. "HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK". Page/Page column 43. . Retrieved 2012/11/08.