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Home  > 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol

AB52384

107534-96-3 | 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol

Packsize Purity Availability Price Discounted Price    Quantity
1g 97% in stock $25.00 $17.00 -   +
5g 97% in stock $41.00 $29.00 -   +
25g 97% in stock $87.00 $61.00 -   +
100g 97% in stock $249.00 $175.00 -   +
500g 97% in stock $758.00 $531.00 -   +

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Description
Catalog Number: AB52384
Chemical Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol
CAS Number: 107534-96-3
Molecular Formula: C16H22ClN3O
Molecular Weight: 307.8184
MDL Number: MFCD02674797
SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O

 

Computed Properties
Complexity: 326  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 1  
XLogP3: 3.7  

 

 

Upstream Synthesis Route 
  • The compound 3-((1H-1,2,4-Triazol-1-yl)methyl)-1-(4-chlorophenyl)-4,4-dimethylpentan-3-ol is commonly utilized in chemical synthesis as a versatile building block. Its unique structure allows for the introduction of both a triazole ring and a chlorophenyl group into a variety of organic molecules. This compound can serve as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and other biologically active compounds. Additionally, its functional groups can participate in a range of reactions such as cross-coupling, oxidation, and reduction, making it a valuable tool for organic chemists seeking to create complex molecular structures.
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