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

Basic Information

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CAS Number

91360-95-1

Molecular Formula

C11H10N2O3

Molecular Weight

218.21 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

Boiling Point

°Cat760mmHg

Density

1.352±0.06 g/cm3 (20 ºC 760 Torr),

Refractive Index

1.596

SMILES

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C1C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C11H10N2O3/c14-9-6-10(15)13(11(16)12-9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14,16)

InChIKey

BNYPOQLJBPNQOW-UHFFFAOYSA-N

LogP

0.6551

Topological Polar Surface Area

66.48 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

321

Synonyms & References

English

NSC109105
3-benzylpyrimidine-2,4,6(1H,3H)-trione
SR-01000397203
HMS1531D03
AKOS000266960
1-benzyl-1,3-diazinane-2,4,6-trione
NSC-109105
F1912-0049
Oprea1_265639
MFCD00104232
SB59590
benzylpyrimidine-2,4,6(1h,3h,5h)-trione
Z56788758
CHEMBL1875274
CCG-47253
Maybridge4_003589
SMR001347326
FT-0754523
1-Phenylmethylpyrimidine-2,4,6(1H,3H,5H)-trione
1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
MLS002704120
SR-01000397203-2
BNYPOQLJBPNQOW-UHFFFAOYSA-
1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
91360-95-1
1-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
EN300-216249
SCHEMBL77739
InChI=1/C11H10N2O3/c14-9-6-10(15)13(11(16)12-9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14,16)
DTXSID50296395
SR-01000397203-1

MDL Number

MFCD00104232

Customs Code

2933540000

FAQ

What are the physical and chemical properties of 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 91360-95-1)?

1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione is a solid with a crystalline form. Its molecular weight is approximately 245.28 g/mol. It has low solubility in water but is more soluble in organic solvents like ethanol and acetonitrile. It is moderately reactive towards nucleophiles and can undergo condensation reactions. It does not undergo hydrolysis under normal conditions.

How is 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 91360-95-1) typically synthesized?

1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione is usually synthesized by the condensation of benzylamine and acetylacetone. The reaction is typically catalyzed by anhydrous aluminum chloride and is carried out in reflux conditions. The yield is generally around 70-80%, and the process involves good selectivity towards the desired product.

What industries use 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 91360-95-1)?

1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also utilized in the polymer industry for the preparation of functionalized polymers and in the semiconductor industry as a precursor for organic thin films.

What precautions should be taken when handling 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 91360-95-1)?

When handling 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a laboratory coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal procedures.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

Compound Q&A

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21889-89-46-Methyl-7-oxabicycl...

Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...

Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

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Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

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Compound Q&A

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631-66-32-Oxopropanamide

Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...

Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...

Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...

Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...

Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione | CAS No. 91360-95-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Density

Refractive Index

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

Customs Code

FAQ

What are the physical and chemical properties of 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 91360-95-1)?

How is 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 91360-95-1) typically synthesized?

What industries use 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 91360-95-1)?

What precautions should be taken when handling 1-Benzyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS: 91360-95-1)?

Related Compounds

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What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

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