5-(4-Bromophenyl)-6-hydroxy-4(1H)-pyrimidinone

Basic Information

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CAS Number

706811-25-8

Molecular Formula

C10H7BrN2O2

Molecular Weight

267.08 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=CC=C1C2=C(N=CNC2=O)O)Br

InChI

InChI=1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15)

InChIKey

PIUMVXYVNAISNG-UHFFFAOYSA-N

LogP

2.317300000000001

Topological Polar Surface Area

66.24000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

330

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

5-(4-bromophenyl)-pyrimidine-4,6-diol
4(1H)-Pyrimidinone, 5-(4-bromophenyl)-6-hydroxy
5-(4-bromophenyl)pyrimidine-4,6-diol
AKOS027326807
5-(4-bromophenyl)-6-hydroxypyrimidin-4(1H)-one
SB55503
AMY249
5-(4-broMophenyl)-6-hydroxy-4(1H)-PyriMidinone
5-(4-Bromophenyl)-4,6-pyrimidinediol
5-(4-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
4(1H)-Pyrimidinone, 5-(4-bromophenyl)-6-hydroxy-
AKOS017560637
A918321
MFCD28044068
DS-12024
SY116170
706811-25-8
SCHEMBL1001064
PIUMVXYVNAISNG-UHFFFAOYSA-N
DTXSID201249021
5-(4-Bromophenyl)-pyrimidine-4,6-diol
5-(4-Bromophenyl)-6-hydroxypyrimidin-4(1H)-one
4(1H)-PyriMidinone, 5-(4-broMophenyl)-6-hydroxy-
5-(4-bromophenyl)-oxazole
Oxazole,5-(4-bromophenyl)
AK322429
5-(4-bromophenyl)pyrimidine-4,6 diol

MDL Number

MFCD28044068

FAQ

What are the physical and chemical properties of 5-(4-Bromophenyl)-6-hydroxy-4(1H)-pyrimidinone (CAS: 706811-25-8)?

5-(4-Bromophenyl)-6-hydroxy-4(1H)-pyrimidinone is a white solid with a crystalline form. Its molecular weight is approximately 314.03 g/mol. It is slightly soluble in water and has good solubility in organic solvents. This compound is known for its reactivity, particularly towards nucleophilic substitution and condensation reactions.

How is 5-(4-Bromophenyl)-6-hydroxy-4(1H)-pyrimidinone (CAS: 706811-25-8) typically synthesized?

5-(4-Bromophenyl)-6-hydroxy-4(1H)-pyrimidinone can be synthesized via a multi-step process involving bromination of a phenyl group, followed by reaction with pyrimidine. Commonly used reagents include bromine and a Lewis acid catalyst such as aluminum bromide. The reaction typically yields a high purity product with good selectivity and moderate to high yield.

What industries use 5-(4-Bromophenyl)-6-hydroxy-4(1H)-pyrimidinone (CAS: 706811-25-8)?

5-(4-Bromophenyl)-6-hydroxy-4(1H)-pyrimidinone finds applications in pharmaceuticals, where it is used as an intermediate in the synthesis of medicinal compounds. It is also utilized in the polymer industry for functionalization purposes and in the manufacturing of advanced materials. Its use in sensors and semiconductors is also being explored due to its unique chemical properties.

What precautions should be taken when handling 5-(4-Bromophenyl)-6-hydroxy-4(1H)-pyrimidinone (CAS: 706811-25-8)?

When handling 5-(4-Bromophenyl)-6-hydroxy-4(1H)-pyrimidinone, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling information and emergency procedures.