2H-Tetrazole-5-carboxylic acid, 2-phenyl-

Base Information

• Chemical Name: 2H-Tetrazole-5-carboxylic acid, 2-phenyl-
• CAS No.: 54798-92-4
• Molecular Formula: C8H6N4O2
• Molecular Weight: 190.161
• European Community (EC) Number: 862-736-6
• DSSTox Substance ID: DTXSID70203268
• Nikkaji Number: J103.891E
• Wikidata: Q83076634
• Mol file: 54798-92-4.mol

Synonyms:54798-92-4;2H-Tetrazole-5-carboxylic acid, 2-phenyl-;2-Phenyltetrazole-5-carboxylic acid;2-PHENYL-2H-TETRAZOLE-5-CARBOXYLIC ACID;2-phenyl-2H-1,2,3,4-tetrazole-5-carboxylic acid;SCHEMBL2211336;DTXSID70203268;MFCD03413881;STL227189;AKOS002250471;CS-0224191;EN300-118160

Chemical Property of 2H-Tetrazole-5-carboxylic acid, 2-phenyl-

Chemical Property:

• Vapor Pressure: 1.8E-08mmHg at 25°C
• Boiling Point: 438.7°C at 760 mmHg
• Flash Point: 219.1°C
• PSA: 80.90000
• Density: 1.53g/cm³
• LogP: 0.36050
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 190.04907545
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

2-Phenyl-2H-tetrazole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2N=C(N=N2)C(=O)O

Technology Process of 2H-Tetrazole-5-carboxylic acid, 2-phenyl-

There total 11 articles about 2H-Tetrazole-5-carboxylic acid, 2-phenyl- 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: 70.0%

C9H6N4O4 → 2-phenyl-2H-tetrazole-5-carboxylic acid (54798-92-4) + 2-(2H-tetrazol-2-yl)benzoic acid (1431473-20-9) + 2-phenyl-2H-tetrazole (56476-95-0)

Guidance literature:

With sulfuric acid; In water; dimethyl sulfoxide; at 124 ℃;

DOI:10.1021/acs.oprd.9b00243

Reference yield: 63.0%

2-phenyl-2H-tetrazole-5-carboxylic acid ethyl ester → 2-phenyl-2H-tetrazole-5-carboxylic acid (54798-92-4)

Guidance literature:

2-phenyl-2H-tetrazole-5-carboxylic acid ethyl ester; With lithium hydroxide monohydrate; water; In methanol; at 0 - 20 ℃; for 2h;

With hydrogenchloride; In methanol; water; at 0 ℃; pH=4 - 5;

DOI:10.1021/jacs.7b02615

Reference yield:

→ 2-phenyl-2H-tetrazole-5-carboxylic acid (54798-92-4)

Guidance literature:

With sodium hydroxide; at -10 ℃;

upstream raw materials:

1-azido-2,4,6-tribromo-benzene

phenylhydrazonoacetic acid

aniline

benzene

Downstream raw materials:

2-phenyl-2H-tetrazole-5-carboxylic acid amide

2-phenyl-2H-tetrazole

2-Phenyl-2H-tetrazol-5-carbonsaeurechlorid

(S)-N-(1-(imidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl)-2-phenyl-2H-tetrazole-5-carboxamide

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