(1-Methyl-1H-1,2,3-triazol-5-yl)methanol

Base Information

• Chemical Name: (1-Methyl-1H-1,2,3-triazol-5-yl)methanol
• CAS No.: 77177-12-9
• Molecular Formula: C4H7N3O
• Molecular Weight: 113.12
• European Community (EC) Number: 827-994-6
• DSSTox Substance ID: DTXSID90505832
• Wikidata: Q82361186
• Mol file: 77177-12-9.mol

Synonyms:77177-12-9;(1-Methyl-1H-1,2,3-triazol-5-yl)methanol;(3-methyltriazol-4-yl)methanol;1-methyl-5-hydroxymethyl-1,2,3-triazole;1H-1,2,3-TRIAZOLE-5-METHANOL, 1-METHYL-;SCHEMBL2646281;DTXSID90505832;MFCD19273577;AKOS022445936;AS-43662;CS-0127651;FT-0716145;EN300-214584;Z1251355468

Chemical Property of (1-Methyl-1H-1,2,3-triazol-5-yl)methanol

Chemical Property:

• Boiling Point: 279.0±32.0 °C(Predicted)
• PKA: 13.79±0.10(Predicted)
• PSA: 50.94000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: -0.69260
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 113.058911855
• Heavy Atom Count: 8
• Complexity: 77.7

Purity/Quality:

NLT 98% ^*data from raw suppliers

(1-methyl-1H-1,2,3-triazol-5-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CN=N1)CO

Technology Process of (1-Methyl-1H-1,2,3-triazol-5-yl)methanol

There total 2 articles about (1-Methyl-1H-1,2,3-triazol-5-yl)methanol 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:

methylene chloride (74-87-3) + propargyl alcohol (107-19-7) → (1-methyl-1H-[1,2,3]triazol-4-yl)methanol (77177-21-0) + (1-methyl-1H-1,2,3-triazol-5-yl)methanol (77177-12-9)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 50 - 60 ℃; for 18h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1007/BF00501836

Reference yield:

→ (1-methyl-1H-1,2,3-triazol-5-yl)methanol (77177-12-9)

Guidance literature:

Reference yield:

6-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-(trifluoromethyl)phenyl)pyrimidin-4-amine + (1-methyl-1H-1,2,3-triazol-5-yl)methanol (77177-12-9) → 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-((1-methyl-1H-1,2,3-triazol-5-yl)methoxy)-N-(3-(trifluoromethyl)phenyl)pyrimidin-4-amine

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide; In water; at 75 ℃; for 16h;

upstream raw materials:

methylene chloride

propargyl alcohol

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