5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-ol

Basic Information

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CAS Number

181696-73-1

Molecular Formula

C16H15NO2

Molecular Weight

253.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

401 ºC

Flash Point

196 ºC

SMILES

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CC1(C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C16H15NO2/c1-16(18)14(12-8-4-2-5-9-12)15(17-19-16)13-10-6-3-7-11-13/h2-11,14,18H,1H3

InChIKey

LOFHVOCXHGAVHL-UHFFFAOYSA-N

LogP

2.9132000000000016

Topological Polar Surface Area

41.82 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

343

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

FT-0666985
SCHEMBL3256976
AKOS000277274
A880977
3,4-diphenyl4-hydrido-5-hydroxy-5-methylisoxazole
181696-73-1
DTXSID50444793
5-Isoxazolol,4,5-dihydro-5-methyl-3,4-diphenyl-
5-Isoxazolol, 4,5-dihydro-5-methyl-3,4-diphenyl-
4,5-DIHYDRO-5-METHYL-3,4-DIPHENYL-5-ISOXAZOLOL
AMY10872
5-Hydroxy-5-methyl-3,4-diphenylisoxazoline
5-METHYL-3,4-DIPHENYL-4,5-DIHYDROISOXAZOL-5-OL
LOFHVOCXHGAVHL-UHFFFAOYSA-N
AC-28935
5-methyl-3,4-diphenyl-4H-1,2-oxazol-5-ol
BCP10046
5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-ol
AKOS016844213
5-Methyl-3,4-diphenyl-4,5-dihydroisoxazol-5-ol
4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol
3,4-diphenyl-4-hydrido-5-hydroxy-5-methylisoxazole
3-phenyl-4-phenyl-5-hydroxy-5-methyl-2-isoxazoline
5-hydroxy-5-methyl-3,4-diphenyl-2-isoxazoline
5-hydroxy-5-methyl-3,4-diphenylisoxazole
5-hydroxy-5-methyl-3,4-diphenylisoxazoline
5-methyl-3,4-diphenyl-4,5-dihydro-isoxazol-5-ol
QC-1530
Parecoxib Impurity 3
Parecoxib Impurity 19
Parecoxib SodiuM IMpurity U

MDL Number

MFCD08693218

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-ol (CAS: 181696-73-1)?

5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-ol is a crystalline compound with a molecular weight of approximately 272.26 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is stable under normal conditions but may react with strong acids or bases. It is used in various applications due to its structural properties.

How is 5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-ol (CAS: 181696-73-1) typically synthesized?

5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-ol can be synthesized through a condensation reaction between a phenylhydrazine derivative and a methyl ketone or aldehyde. This process typically involves the use of a base such as sodium hydroxide or potassium hydroxide, and the reaction is conducted in an alcohol solvent. The yield and selectivity can be improved by using appropriate catalysts and reaction conditions.

What industries use 5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-ol (CAS: 181696-73-1)?

5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-ol is used in pharmaceuticals, where it serves as an intermediate in the synthesis of certain drugs. It also finds applications in the polymer industry for the production of specific polymers and in the sensor industry due to its ability to detect certain chemical species.

What precautions should be taken when handling 5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-ol (CAS: 181696-73-1)?

When handling 5-Methyl-3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-ol, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up promptly using appropriate absorbent materials, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.