2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one

Basic Information

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CAS Number

2749-59-9

Molecular Formula

C5H8N2O

Molecular Weight

112.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

116.0 to 121.0 deg-C

Boiling Point

151.7℃ at 760 mmHg

Water Solubility

almost transparency

Flash Point

45.5 oC

Refractive Index

1.4730 (estimate)

SMILES

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CC1=NN(C(=O)C1)C

InChI

InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3

InChIKey

NDELSWXIAJLWOU-UHFFFAOYSA-N

LogP

0.22440000000000004

Topological Polar Surface Area

32.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

151

Safety Information

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Hazard Statement

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

D2031
2,5-dimethyl-2,4-dihydropyrazol-3-one
3H-Pyrazol-3-one,4-dihydro-2,5-dimethyl-
3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-
NSC-304
2-Pyrazolin-5-one,3-dimethyl-
2,5-dimethyl-4H-pyrazol-3-one
2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one
CS-W013658
DTXSID4074641
NSC304
2,4-DIHYDRO-2,5-DIMETHYL-3H-PYRAZOL-3-ONE
2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one #
Z50146885
NSC 304
2,5dimethyl-2,4-dihydropyrazol-3one
PS-4440
NS00028314
F10825
MFCD00067008
1,3-Dimethylpyrazol-5(4H)-one
2,5-di-methyl-2,4-dihydro-2h-pyrazol-3-one
1,3-dimethyl-1H-pyrazol-5(4H)-one
EINECS 220-389-2
2749-59-9
AKOS005202679
1,3-dimethyl-4,5-dihydro-1H-pyrazol-5-one
W-107110
1,3-Dimethyl-5-pyrazolinone
SY030288
AKOS025243230

MDL Number

MFCD00067008

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one (CAS: 2749-59-9)?

2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one (CAS: 2749-59-9) is a white crystalline solid with a molecular weight of approximately 128.15 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is moderately reactive, showing typical reactivity of pyrazoles, such as nucleophilic substitution and condensation reactions.

How is 2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one (CAS: 2749-59-9) typically synthesized?

2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one is typically synthesized through the condensation of methyl isonicotinate with methyl isocyanate in the presence of a base such as potassium carbonate. The reaction is carried out under mild conditions, yielding the compound with good selectivity and high yield.

What industries use 2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one (CAS: 2749-59-9)?

2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one (CAS: 2749-59-9) is used in various industries, including pharmaceuticals for its potential as a drug intermediate, and in polymer chemistry for its role as a cross-linking agent. It also finds applications in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one (CAS: 2749-59-9)?

When handling 2,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-one (CAS: 2749-59-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and goggles. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use appropriate containment measures and follow safety data sheet (SDS) guidelines for proper disposal. Handling should be done in a well-ventilated area or under a fume hood to minimize exposure risks.