5-Phenyl-1H-tetrazol-1-ol

Base Information

• Chemical Name: 5-Phenyl-1H-tetrazol-1-ol
• CAS No.: 55513-24-1
• Molecular Formula: C7H6N4O
• Molecular Weight: 162.151
• DSSTox Substance ID: DTXSID30514721
• Wikidata: Q82375224
• Mol file: 55513-24-1.mol

Synonyms:5-Phenyl-1H-tetrazol-1-ol;55513-24-1;1-hydroxy-5-phenyltetrazole;5-phenyl-1H-1,2,3,4-tetrazol-1-ol;hydroxyphenyltetrazole;SCHEMBL7795144;DTXSID30514721;EN300-624206

Chemical Property of 5-Phenyl-1H-tetrazol-1-ol

Chemical Property:

• Melting Point: 124 °C
• Boiling Point: 391.8±25.0 °C(Predicted)
• PSA: 63.83000
• Density: 1.46±0.1 g/cm3(Predicted)
• LogP: 0.57740
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 162.05416083
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

5-Phenyl-1H-tetrazol-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=NN2O

Technology Process of 5-Phenyl-1H-tetrazol-1-ol

There total 5 articles about 5-Phenyl-1H-tetrazol-1-ol 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: 60.0%

1-(anthracen-9-ylmethoxy)-5-phenyltetrazole (323580-34-3) → 1-hydroxy-5-phenyltetrazole (55513-24-1) + 3-(anthracen-9-ylmethyl)-5-phenyltetrazole 1-oxide

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1071/CH00073

Reference yield: 60.0%

benzohydroximoyl azide (6914-23-4) → 1-hydroxy-5-phenyltetrazole (55513-24-1)

Guidance literature:

With hydrogenchloride; In diethyl ether;

DOI:10.1023/A:1012453012799

Reference yield:

benzohydroximoyl chloride (698-16-8) → 1-hydroxy-5-phenyltetrazole (55513-24-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / sodium azide / dimethylformamide / 18 - 20 °C

2: 60 percent / gaseous hydrogen chloride / diethyl ether

With hydrogenchloride; sodium azide; In diethyl ether; N,N-dimethyl-formamide;

DOI:10.1023/A:1012453012799

upstream raw materials:

1-(anthracen-9-ylmethoxy)-5-phenyltetrazole

benzohydroximoyl azide

benzohydroximoyl chloride

Benzaldoxime

Downstream raw materials:

3-(5-phenyl-tetrazol-2-yl)propionic acid methyl ester

4-(5-phenyltetrazole-2-yl)-2-butanone

2-ethyl-5-phenyl-2H-tetrazole 4-oxide

3-methyl-5-phenyltetrazole-1-oxide