5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide

Base Information

• Chemical Name: 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide
• CAS No.: 20317-25-3
• Molecular Formula: C9H9 N5 O
• Molecular Weight: 203.203
• Hs Code.: 2933990090
• European Community (EC) Number: 886-404-5
• NSC Number: 76221
• DSSTox Substance ID: DTXSID10942467
• Nikkaji Number: J703.549G
• Wikidata: Q82919487
• ChEMBL ID: CHEMBL1881806
• Mol file: 20317-25-3.mol

Synonyms:5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide;20317-25-3;5-amino-1-phenyltriazole-4-carboxamide;5-Amino-1-phenyl-1H-[1,2,3]triazole-4-carboxylic acid amide;NSC76221;Enamine_001071;NCIOpen2_003989;Oprea1_678290;MLS000687934;CHEMBL1881806;DTXSID10942467;HMS1397A15;HMS2642P19;BBL004501;MFCD00721182;NSC-76221;STL139228;AKOS000597946;BS-4135;SMR000286302;BB 0242537;EN300-53993;AE-848/32010029;Z56788774;F0915-4344;5-Amino-1-phenyl-1H-1,2,3-triazole-4-carboximidic acid;5-Amino-1-phenyl-1H-[1,2,3]triazole-4-carbo xylic acid amide

Chemical Property of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide

Chemical Property:

• Vapor Pressure: 4.22E-09mmHg at 25°C
• Boiling Point: 472.6°Cat760mmHg
• Flash Point: 239.6°C
• PSA: 99.82000
• Density: 1.54g/cm³
• LogP: 1.22990
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.08070993
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N)N

Technology Process of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide

There total 4 articles about 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide 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: 56.0%

Phenyl azide (622-37-7) + cyanoacetic acid amide (107-91-5) → 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide (20317-25-3)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 25 ℃; for 3h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1134/S1070428020030136

Reference yield:

aniline (62-53-3) → 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide (20317-25-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite; sodium azide; hydrogenchloride / water / 20 °C

2: ethanol / Reflux

With hydrogenchloride; sodium azide; sodium nitrite; In ethanol; water;

DOI:10.1016/j.jmgm.2016.01.006

Reference yield:

Phenyl azide (622-37-7) → 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxamide (20317-25-3)

Guidance literature:

With sodium ethanolate;

upstream raw materials:

Phenyl azide

cyanoacetic acid amide

aniline

Downstream raw materials:

5-anilino-1H-[1,2,3]triazole-4-carboxylic acid amide

5-methyl-3-phenyl-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

5-azido-4-carbamoyl-1-phenyl-1,2,3-triazole

5-amino-1-phenyl-1H-1,2,3-triazole-4-carbonitrile

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