5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol | CAS No. 125-33-7

Q: What are the physical and chemical properties of 5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7)?

5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7) is a white crystalline solid with a molecular weight of approximately 232.25 g/mol. It has a high solubility in polar solvents such as methanol and ethanol but is less soluble in water. This compound is relatively stable under normal conditions but can react with strong acids and bases. It is also known for its reactivity towards nucleophiles and electrophiles, making it a useful reagent in organic synthesis.

Q: How is 5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7) typically synthesized?

5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol can be synthesized via the condensation of 5-ethynyl-2,4,6-pyrimidinetrione with phenylacetylene. This method involves the use of sodium hydride as a catalyst. The reaction is carried out in a suitable solvent such as THF. The yield is typically around 70-80%, and the product is isolated by column chromatography. This synthesis is selective and efficient, making it a common method in the laboratory.

Q: What industries use 5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7)?

5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7) is primarily used in the pharmaceutical industry for the synthesis of various drugs and intermediates. It is also applied in the production of polymers, sensors, and semiconductors due to its unique chemical properties. Its ability to form stable complexes and its reactivity make it a valuable compound in these industries.

Q: What precautions should be taken when handling 5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7)?

When handling 5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. The compound should be stored in a cool, dry place away from direct sunlight. It should be handled in a well-ventilated area or a fume hood to prevent inhalation. In case of a spill, it is recommended to use absorbent materials and dispose of the contaminated materials according to local regulations. Always refer to the safety data sheet (SDS) for detailed information on handling and safety measures.

5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol

Basic Information

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CAS Number

125-33-7

Molecular Formula

C12H14N2O2

Molecular Weight

218.26 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

281-282 ºC

Boiling Point

520.7°C at 760 mmHg

Water Solubility

<0.1 g/100 mL at 19 ºC

Flash Point

9℃

Refractive Index

1.6660 (estimate)

SMILES

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CCC1(C(=O)NCNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)

InChIKey

DQMZLTXERSFNPB-UHFFFAOYSA-N

LogP

2.2185000000000006

Topological Polar Surface Area

65.18 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

279

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H351 Suspected of causing cancer
Carcinogenicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

PRIMIDONE [VANDF]
NCGC00015834-16
SPECTRUM1500501
BIDD:GT0319
CCG-39231
NCGC00023254-10
Primidonum (Latin)
Tox21_201948
Pyrimidone ''Medi-pets''
Spectrum3_000553
Mysoline (TN)
BRD-K32247306-001-17-9
MLS001074125
DivK1c_000324
Primidone, analytical standard
Spectrum2_001293
Lopac0_001021
NINDS_000324
Mysoline
4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-phenyl-
CCRIS 54
NC00532
Resimatil
5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
5-Phenyl-5-aethylhexahydropyrimidindion-(4,6)
5-Ethyl-5-phenyldihydro-4,6(1H,5H)-pyrimidinedione #
Mylepsinum
NCGC00023254-08
5-Phenyl-5-ethyl-hexahydropyrimidine-4,6-dione
Mylepsin
LP01021

MDL Number

MFCD00038662

Customs Code

29335990

FAQ

What are the physical and chemical properties of 5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7)?

5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7) is a white crystalline solid with a molecular weight of approximately 232.25 g/mol. It has a high solubility in polar solvents such as methanol and ethanol but is less soluble in water. This compound is relatively stable under normal conditions but can react with strong acids and bases. It is also known for its reactivity towards nucleophiles and electrophiles, making it a useful reagent in organic synthesis.

How is 5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7) typically synthesized?

5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol can be synthesized via the condensation of 5-ethynyl-2,4,6-pyrimidinetrione with phenylacetylene. This method involves the use of sodium hydride as a catalyst. The reaction is carried out in a suitable solvent such as THF. The yield is typically around 70-80%, and the product is isolated by column chromatography. This synthesis is selective and efficient, making it a common method in the laboratory.

What industries use 5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7)?

5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7) is primarily used in the pharmaceutical industry for the synthesis of various drugs and intermediates. It is also applied in the production of polymers, sensors, and semiconductors due to its unique chemical properties. Its ability to form stable complexes and its reactivity make it a valuable compound in these industries.

What precautions should be taken when handling 5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7)?

When handling 5-Ethyl-5-phenyl-2,5-dihydro-4,6-pyrimidinediol (CAS: 125-33-7), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. The compound should be stored in a cool, dry place away from direct sunlight. It should be handled in a well-ventilated area or a fume hood to prevent inhalation. In case of a spill, it is recommended to use absorbent materials and dispose of the contaminated materials according to local regulations. Always refer to the safety data sheet (SDS) for detailed information on handling and safety measures.