2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone

Base Information

• Chemical Name: 2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone
• CAS No.: 116802-66-5
• Molecular Formula: C8H11N3O
• Molecular Weight: 165.19244
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60559226
• Mol file: 116802-66-5.mol

Synonyms:2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone;116802-66-5;2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one;2-((1H-1,2,4-Triazol-1-yl)methyl)cyclopentanone;2-[(1H-1,2,4-Triazol-1-yl)methyl]cyclopentan-1-one;2-((1H-1,2,4-triazol-1-yl)methyl)cyclopentan-1-one;SCHEMBL9664645;DTXSID60559226;MFCD12028203;AKOS005171955;LS-03057;CS-0335187;2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone(SALTDATA: FREE)

Chemical Property of 2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone

Chemical Property:

• PSA: 47.78000
• LogP: 0.64730
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.090211983
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

2-(1H-1,2,4-Triazol-1-ylmethyl)cyclopentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(=O)C1)CN2C=NC=N2

Technology Process of 2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone

There total 1 articles about 2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone 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:

1,2,4-Triazole (288-88-0) + 2-methanesulfonyloxymethylcyclopentanone → 2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone (116802-66-5)

Guidance literature:

With NaH; In N,N-dimethyl-formamide;

Reference yield:

magnesium dihydride (7439-95-4) + 2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone (116802-66-5) + 1-Chloro-4-(chloromethyl)benzene (104-83-6) → 1-(4-chlorobenzyl)-2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

Guidance literature:

With hydrogenchloride; iodine; In diethyl ether;

Reference yield:

bromochlorobenzene (106-39-8) + magnesium dihydride (7439-95-4) + 2-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanone (116802-66-5) → 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-cyclopentan-1-ol

Guidance literature:

With hydrogenchloride; In methanol; diethyl ether; chloroform;

upstream raw materials:

1,2,4-Triazole