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1-(4-Biphenylyloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol(CAS: 55179-31-2)

1-(4-Biphenylyloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol
CAS Number

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Basic Information

Molecular Formula
C20H23N3O2
Molecular Weight
337.42 g/mol

Physical Properties

Melting Point
49-50°C
Boiling Point
350°C
Density
1.1676 (rough estimate)

Chemical Identifiers

SMILES
CC(C)(C)C(O)C(OC1=CC=C(C=C1)C1=CC=CC=C1)N1C=NC=N1
InChIKey
VGPIBGGRCVEHQZ-UHFFFAOYSA-N

Database References

MDL Number
MFCD00055508

FAQ

1-(4-Biphenylyloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol is a solid with a crystalline form. Its molecular weight is approximately 460.4 g/mol. It has low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is known for its reactivity, particularly in nucleophilic substitution reactions and its stability under neutral conditions.
1-(4-Biphenylyloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol can be synthesized through the reaction of 4-biphenyloxy-2-butanol with 1H-1,2,4-triazole. Commonly, this involves condensation reactions using a base like potassium carbonate as a catalyst. The yield is typically 60-70%, and the product is isolated by recrystallization from organic solvents.
1-(4-Biphenylyloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol finds applications primarily in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It may also be used in the development of sensors and as a molecular precursor in the synthesis of materials for semiconductors and polymers.
Handling 1-(4-Biphenylyloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol requires appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled carefully and cleaned up with appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage guidelines.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures