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

Base Information

• Chemical Name: phenyl(4H-1,2,4-triazol-3-yl)methanol
• CAS No.: 18011-28-4
• Molecular Formula: C₉H₉N₃O
• Molecular Weight: 175.19
• European Community (EC) Number: 879-299-2
• DSSTox Substance ID: DTXSID701286121
• Mol file: 18011-28-4.mol

Synonyms:phenyl(4H-1,2,4-triazol-3-yl)methanol;18011-28-4;phenyl(1H-1,2,4-triazol-5-yl)methanol;starbld0028396;(r,s)-phenyl-(1h-[1,2,4]triazol-3-yl)-methanol;DTXSID701286121;AKOS014698805;alpha-Phenyl-1H-1,2,4-triazole-5-methanol;CS-0233941;EN300-137281;Z1259214161

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

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 175.074561919
• Heavy Atom Count: 13
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=NC=NN2)O

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

There total 3 articles about phenyl(4H-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:

Phenyl-(1-pyrrolidin-1-ylmethyl-1H-[1,2,4]triazol-3-yl)-methanol (127237-70-1) → phenyl-(1H-[1,2,4]triazol-3-yl)-methanol (18011-28-4) + Phenyl-(2H-[1,2,4]triazol-3-yl)-methanol (18011-28-4)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 3h; Yield given. Title compound not separated from byproducts; Heating;

DOI:10.1016/S0040-4020(01)85445-4

Reference yield:

Phenyl-(1-pyrrolidin-1-ylmethyl-1H-[1,2,4]triazol-3-yl)-methanol (127237-70-1) → phenyl-(1H-[1,2,4]triazol-3-yl)-methanol (18011-28-4) + Phenyl-(2H-[1,2,4]triazol-3-yl)-methanol (18011-28-4)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 3h; Yield given. Title compound not separated from byproducts; Heating;

DOI:10.1016/S0040-4020(01)85445-4

Reference yield:

→ phenyl-(1H-[1,2,4]triazol-3-yl)-methanol (18011-28-4)

Guidance literature:

3-Benzoyl-1,2,4-triazol, H2, Pd/C;

DOI:10.1039/j39680000824

upstream raw materials:

Phenyl-(1-pyrrolidin-1-ylmethyl-1H-[1,2,4]triazol-3-yl)-methanol