1-Benzyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Basic Information

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CAS Number

72846-00-5

Molecular Formula

C17H14N2O3

Molecular Weight

294.31 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

Physical State

Powder

Melting Point

160.0 to 166.0 deg-C

Water Solubility

Soluble in acetone. Slightly soluble in water.

SMILES

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C1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22)

InChIKey

KCWWCWMGJOWTMY-UHFFFAOYSA-N

LogP

2.0488

Topological Polar Surface Area

66.48 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

451

Synonyms & References

English

3-benzyl-5-phenylpyrimidine-2,4,6(1H,3H)-trione
DTXSID10888290
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-1-(phenylmethyl)-
MFCD00082750
EINECS 276-940-2
1-Benzyl-5-phenylbarbituric acid, AldrichCPR
W-104477
AC-8768
SCHEMBL16592581
AS-68395
1-benzyl-5-phenylbarbiturate
SCHEMBL66999
AKOS015889672
1-Benzyl-5-phenylbarbituric acid
1-benzyl-5-phenyl-1,3-diazinane-2,4,6-trione
72846-00-5
J-650374
NS00061776
SY036840
Benzyl-5-phenylbarbituric acid
1-benzyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione
1-Phenylmethyl-5-phenyl-barbituric acid
1-Benzyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
1-Benzyl-5-phenylbarbituric Acid
KCWWCWMGJOWTMY-UHFFFAOYSA-N
5-phenyl-1-benzyl-1,3,5-trihydropyrimidine-2,4,6-trione
1-Benzyl-5-phenylbarbituricAcid

MDL Number

MFCD00082750

Customs Code

2933540000

FAQ

What regulatory guidelines apply to 1-Benzyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 72846-00-5)?

1-Benzyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione is subject to various regulatory guidelines, including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a chemical substance and must comply with the relevant standards for its production, import, storage, and disposal. For specific details, consult the latest edition of the Chemical Abstracts Service (CAS) and REACH documentation.

Are there alternatives to 1-Benzyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 72846-00-5) in synthesis?

Several alternatives to 1-Benzyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione are available in synthesis. Common substitutes include related pyrimidine derivatives and other heterocyclic compounds. These alternatives can offer similar functionalities or improved reactivity, depending on the specific application. Consult recent literature and patents for detailed alternatives.

What is the market or research trend for 1-Benzyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 72846-00-5)?

The market for 1-Benzyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its potential as a scaffold for drug discovery and as a component in pesticides. Emerging studies also explore its use in materials science and as a precursor in organic synthesis. Market analysis suggests a steady increase in demand as more applications are discovered.

How should waste containing 1-Benzyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 72846-00-5) be handled?

Waste containing 1-Benzyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione should be collected in appropriate containers and stored in a well-ventilated area. For disposal, incineration or professional waste disposal services are recommended. Ensure compliance with local regulations and environmental protection standards. Always consult the latest safety data sheet (SDS) for specific handling and disposal procedures.