(1-methyl-1H-1,2,4-triazol-3-yl)methanol

Base Information

• Chemical Name: (1-methyl-1H-1,2,4-triazol-3-yl)methanol
• CAS No.: 135242-93-2
• Molecular Formula: C4H7N3O
• Molecular Weight: 113.119
• Hs Code.: 2933990090
• European Community (EC) Number: 836-371-8
• DSSTox Substance ID: DTXSID00438445
• Wikidata: Q72491813
• Mol file: 135242-93-2.mol

Synonyms:135242-93-2;(1-methyl-1H-1,2,4-triazol-3-yl)methanol;(1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol;(1-Methyl-1H-[1,2,4]triazol-3-yl)methanol;(1-methyl-1,2,4-triazol-3-yl)methanol;1H-1,2,4-Triazole-3-methanol, 1-methyl-;MFCD16710296;1-METHYL-1H-1,2,4-TRIAZOLE-3-METHANOL;SCHEMBL943196;DTXSID00438445;WEDYTSQNYJKOPC-UHFFFAOYSA-N;AKOS005765977;CS-W018912;GE-0745;PB34812;SY102300;(2-methyl-1,2,4-triazol-5-yl)methanol;3-hydroxymethyl-1-methyl-1,2,4-triazole;AM20080257;FT-0682005;(1-methyl-1 H-1,2,4-triazol-3yl)methanol;3-hydroxymethyl-1-methyl-1H-1,2,4-triazole;(1-methyl-1 H-1,2,4-triazol-3-yl)methanol;EN300-245910;(1-Methyl-1H-[1,2,4] triazol-3-yl)-methanol;A847538;J-500205

Chemical Property of (1-methyl-1H-1,2,4-triazol-3-yl)methanol

Chemical Property:

• Boiling Point: 296.847 °C at 760 mmHg
• PKA: 13.16±0.10(Predicted)
• Flash Point: 133.329 °C
• PSA: 50.94000
• Density: 1.336 g/cm³
• LogP: -0.69260
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -0.8
• 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:

98%,99%, ^*data from raw suppliers

(1-Methyl-1H-1,2,4-triazol-3-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC(=N1)CO

Technology Process of (1-methyl-1H-1,2,4-triazol-3-yl)methanol

There total 3 articles about (1-methyl-1H-1,2,4-triazol-3-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: 100.0%

3-tert-butyldimethylsilyloxymethyl-1-methyl-1H-1,2,4-triazole (135206-74-5) → (1-methyl-1H-[1,2,4]-triazol-3-yl)methanol (135242-93-2)

Guidance literature:

With sodium hydroxide; In methanol; at 20 - 45 ℃; for 48h;

DOI:10.1248/cpb.42.85

Reference yield: 85.0%

N-formyl-2-trityloxyacetamide + methylhydrazine (60-34-4) → (1-methyl-1H-[1,2,4]-triazol-3-yl)methanol (135242-93-2)

Guidance literature:

With toluene-4-sulfonic acid; In chloroform; at 20 ℃; for 4h;

Reference yield: 74.0%

methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate (57031-66-0) → (1-methyl-1H-[1,2,4]-triazol-3-yl)methanol (135242-93-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 5h; Reflux;

DOI:10.1002/cbdv.201700351

upstream raw materials:

3-tert-butyldimethylsilyloxymethyl-1-methyl-1H-1,2,4-triazole

methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate

methylhydrazine

Downstream raw materials:

1-methyl-1,2,4-triazol-3-ylmethyl chloride

1-methyl-1H-1,2,4-triazole-3-carbaldehyde

(1-methyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride

3-chloromethyl-1-methyl-1H-[1,2,4]triazole hydrochloride

Refernces

• 1、 Tasaka,Teranishi,Matsushita,Tamura,Hayashi,Okonogi,Itoh. "Optically active antifungal azoles. III. Synthesis and antifungal activity of sulfide and sulfonamide derivatives of (2R,3R)-2-(2,4-difluorophenyl)-3- mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol". . p. 85 - 94. Retrieved 2007/10/02.