4-Methyl-1-phenyl-3-pyrazolidinone

Basic Information

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CAS Number

2654-57-1

Molecular Formula

C10H12N2O

Molecular Weight

176.22 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

132.0 to 137.0 deg-C

Boiling Point

307.83°C (rough estimate)

Refractive Index

1.7110 (estimate)

SMILES

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CC1CN(NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C10H12N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)

InChIKey

ZZEYCGJAYIHIAZ-UHFFFAOYSA-N

LogP

1.1739

Topological Polar Surface Area

32.34 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

199

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

Tox21_302042
DTXCID6024412
SR-01000524008
EINECS 220-180-6
CHEMBL1489664
SCHEMBL972562
2654-57-1
NSC-96628
Oprea1_430085
IDI1_024549
cid_98282
CAS-2654-57-1
M1667
1-phenyl-4-methyl-3-pyrazolidone, 98.5+%
AM20060580
59MUO871OM
BDBM81087
AKOS000313053
SR-01000524008-1
4-methyl-1-phenyl-pyrazolidin-3-one
Oprea1_755749
1-phenyl-4-methyl-3-pyrazolidinone
ChemDiv3_006639
W-107166
DTXSID8044412
3-Pyrazolidinone, 4-methyl-1-phenyl-
HMS2711N10
NCGC00255949-01
AKOS000546082
1-Phenyl-4-methyl-3-pyrazolidone
4-Methyl-3-oxo-1-phenylpyrazolidine

MDL Number

MFCD00044800

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-Methyl-1-phenyl-3-pyrazolidinone (CAS: 2654-57-1)?

4-Methyl-1-phenyl-3-pyrazolidinone (CAS: 2654-57-1) is a crystalline compound with a molecular weight of approximately 170.24 g/mol. It has a melting point of around 102-103°C and is slightly soluble in water. This compound is relatively stable but can react with strong acids and bases. It is used in various applications due to its chemical reactivity and structural properties.

How is 4-Methyl-1-phenyl-3-pyrazolidinone (CAS: 2654-57-1) typically synthesized?

4-Methyl-1-phenyl-3-pyrazolidinone is typically synthesized via a condensation reaction between methyl acetoacetate and phenyl hydrazine. The synthesis involves the use of a suitable catalyst, such as p-toluenesulfonic acid, and provides a yield of approximately 70-80%. The product is then purified by recrystallization from an appropriate solvent.

What industries use 4-Methyl-1-phenyl-3-pyrazolidinone (CAS: 2654-57-1)?

4-Methyl-1-phenyl-3-pyrazolidinone (CAS: 2654-57-1) is used in various industries, including pharmaceuticals for its intermediacy in drug synthesis, polymers for imparting specific properties, and sensors for detecting certain compounds. It also finds applications in the semiconductor industry for its role in photoresists and other functional materials.

What precautions should be taken when handling 4-Methyl-1-phenyl-3-pyrazolidinone (CAS: 2654-57-1)?

When handling 4-Methyl-1-phenyl-3-pyrazolidinone (CAS: 2654-57-1), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. This compound should be stored in a cool, dry place, away from sources of heat and light. Spills should be handled with care using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed guidance on handling and storage.