3-(5-phenyl-2H-tetraazol-2-yl)propanoic acid

Base Information

Chemical Name:3-(5-phenyl-2H-tetraazol-2-yl)propanoic acid
CAS No.:21054-67-1
Molecular Formula:C10H10N4O2
Molecular Weight:218.21
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10357138
Wikidata:Q82136893
ChEMBL ID:CHEMBL1450722

Synonyms:21054-67-1;3-(5-phenyl-2H-tetraazol-2-yl)propanoic acid;3-(5-phenyltetrazol-2-yl)propanoic acid;2H-Tetrazole-2-propanoic acid, 5-phenyl-;3-(5-PHENYL-2H-TETRAZOL-2-YL)PROPANOIC ACID;CHEMBL1450722;CHEMBRDG-BB 5929842;MLS000547470;HMS2628L11;Oprea1_191175;DTXSID10357138;BDBM50530945;MFCD01648284;AKOS000210197;SMR000113570;AL-291/37197008

Suppliers and Price of 3-(5-phenyl-2H-tetraazol-2-yl)propanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 3-(5-phenyl-2H-tetraazol-2-yl)propanoic acid

Chemical Property:

Vapor Pressure:1.79E-09mmHg at 25°C
Boiling Point:465.7°C at 760 mmHg
Flash Point:235.5°C
PSA：80.90000
Density:1.39g/cm³
LogP:0.81480
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:218.08037557
Heavy Atom Count:16
Complexity:243

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)O

Technology Process of 3-(5-phenyl-2H-tetraazol-2-yl)propanoic acid

There total 3 articles about 3-(5-phenyl-2H-tetraazol-2-yl)propanoic 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: 55.0%

: 124313-46-8
3-(5-phenyltetrazol-2-yl)propionitrile

: 21054-67-1
5-phenyltetrazol-2-ylpropanoic acid

Guidance literature:: With sulfuric acid; In water; at 85 ℃; for 3h;
DOI:10.1023/A:1020933900167

Reference yield:

: 18039-42-4,3999-10-8
5-Phenyl-1H-tetrazole

: 21054-67-1
5-phenyltetrazol-2-ylpropanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 58 percent / Et₃N / acetonitrile / 72 h / 20 °C

2: 55 percent / H₂SO₄ / H₂O / 3 h / 85 °C

With sulfuric acid; triethylamine; In water; acetonitrile;
DOI:10.1023/A:1020933900167