3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol

Base Information

• Chemical Name: 3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol
• CAS No.: 18595-97-6
• Molecular Formula: C₅H₁₀N₄O
• Molecular Weight: 142.161
• Hs Code.: 2933990090
• European Community (EC) Number: 858-948-3
• DSSTox Substance ID: DTXSID60366139
• Wikidata: Q82151238
• ChEMBL ID: CHEMBL1461312
• Mol file: 18595-97-6.mol

Synonyms:18595-97-6;3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol;3-(5-amino-4H-1,2,4-triazol-3-yl)propan-1-ol;3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol;3-(5-amino-1H-1,2,4-triazol-3-yl)propan-1-ol;3-(5-Amino-4H-[1,2,4]triazol-3-yl)propan-1-ol;Oprea1_022128;MLS000388645;3-(5-amino-2H-1,2,4-triazol-3-yl)propan-1-ol;CHEMBL1461312;SCHEMBL10635897;SCHEMBL20472373;DTXSID60366139;JCYHSFGSMIVOPG-UHFFFAOYSA-N;HMS1749D08;HMS2569E23;BBL013066;MFCD03473186;STK312745;AKOS000122115;AKOS015831191;AKOS015955597;SMR000254818;VS-03654;CS-0307587;FT-0709078;EN300-02623;3-(5-amino-4H-1,2,4-triazol-3-yl)-1-propanol;Z56903990;F1310-0042

Chemical Property of 3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol

Chemical Property:

• Vapor Pressure: 7.19E-09mmHg at 25°C
• Boiling Point: 449.6°Cat760mmHg
• Flash Point: 225.7°C
• PSA: 87.82000
• Density: 1.376g/cm³
• LogP: -0.10700
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 142.08546096
• Heavy Atom Count: 10
• Complexity: 99.6

Purity/Quality:

98%min ^*data from raw suppliers

3-(5-Amino-4h-[1,2,4]triazol-3-yl)-propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC1=NC(=NN1)N)CO

Technology Process of 3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol

There total 2 articles about 3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-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: 40.0%

4-butanolide (96-48-0) + aminoguanidine (79-17-4) → 5-amino-3-(3-hydroxypropyl)-4H-[1,2,4]triazole (18595-97-6)

Guidance literature:

With pyridine; for 10h; Heating;

DOI:10.3390/12051136

Reference yield:

→ 5-amino-3-(3-hydroxypropyl)-4H-[1,2,4]triazole (18595-97-6)

Guidance literature:

Aminoguanidin-hydrogencarbonat, γ-Butyrolacton;

Reference yield: 55.0%

6-fluorochromone-3-carboxaldehyde (69155-76-6) + 5-amino-3-(3-hydroxypropyl)-4H-[1,2,4]triazole (18595-97-6) → (5-fluoro-2-hydroxyphenyl)[2-(3-hydroxypropyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone (924213-28-5)

Guidance literature:

With chloro-trimethyl-silane; In N,N-dimethyl-formamide; Heating;

DOI:10.3987/COM-07-11240

upstream raw materials:

4-butanolide

aminoguanidine

Downstream raw materials:

7-hydroxy-2-(3-hydroxypropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-anilino-5-methyl-2-(3-chloropropyl)-[1,2,4]-triazolo[1,5-a]pyrimidine

C₁₅H₁₅FClN₅

C₁₆H₁₄F₄ClN₅

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