{[5-Bromo-4-(4-propyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid | CAS No. 1533519-96-8

{[5-Bromo-4-(4-propyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Basic Information

CAS Number

1533519-96-8

Molecular Formula

C17H16BrN3O2S

Molecular Weight

406.31 g/mol

EINECS

604-604-1

AD

Basic Physical Properties

Physical State

No data available

Melting Point

Not available

Boiling Point

619.8±65.0 °C(Predicted)

Density

1.55±0.1 g/cm3(Predicted)

Flash Point

328.6±34.3 °C

Vapor Pressure

0.0±1.9 mmHg at 25°C

CCCc1ccc(c2c1cccc2)n3c(nnc3Br)SCC(=O)O

InChI

InChI=1S/C17H16BrN3O2S/c1-2-5-11-8-9-14(13-7-4-3-6-12(11)13)21-16(18)19-20-17(21)24-10-15(22)23/h3-4,6-9H,2,5,10H2,1H3,(H,22,23)

InChIKey

LEYOZDSJDRGGGV-UHFFFAOYSA-N

LogP

4.3122000000000025

pKa

2.91±0.10(Predicted)

Topological Polar Surface Area

68.01 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

  • Lesinurad Impurity K
  • Acetic acid, 2-[[5-bromo-4-(4-propyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-
  • 2-((5-bromo-4-(4-propylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
  • Lesinurad Impurity 4/ 2-[[5-Bromo-4-(4-propylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetic acid
  • Lesinurad Impurity 3

EC Number

604-604-1

FAQ

What are the physical and chemical properties of {[(5-Bromo-4-(4-propyl-1-naphthyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid} (CAS: 1533519-96-8)?

{[(5-Bromo-4-(4-propyl-1-naphthyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid} (CAS: 1533519-96-8) is a crystalline solid with a molecular weight of approximately 435.31 g/mol. It is poorly water-soluble, with a solubility of less than 0.1 g/L at 25°C. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a dry environment to avoid hydrolysis.

How is {[(5-Bromo-4-(4-propyl-1-naphthyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid} (CAS: 1533519-96-8) typically synthesized?

{[(5-Bromo-4-(4-propyl-1-naphthyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid} (CAS: 1533519-96-8) can be synthesized through a multi-step process involving the synthesis of the triazole moiety, bromination, coupling with the naphthyl derivative, and acylation. This process typically requires careful control over reaction conditions and the use of appropriate solvents and catalysts to achieve good yields. Detailed methods can be found in specialized chemical literature.

What industries use {[(5-Bromo-4-(4-propyl-1-naphthyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid} (CAS: 1533519-96-8)?

The compound {[(5-Bromo-4-(4-propyl-1-naphthyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid} (CAS: 1533519-96-8) is primarily used in the pharmaceutical industry for its potential as a drug candidate. It may also find applications in advanced materials research, particularly in the development of sensors and semiconductors due to its functional groups. Specific uses in polymer synthesis and industrial catalysis may also be explored but are less common.

What precautions should be taken when handling {[(5-Bromo-4-(4-propyl-1-naphthyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid} (CAS: 1533519-96-8)?

When handling {[(5-Bromo-4-(4-propyl-1-naphthyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid} (CAS: 1533519-96-8), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place to prevent hydrolysis. Handle under a fume hood to avoid inhalation and ingestion. In case of a spill, immediately clean up using appropriate absorbent material, and consult a safety data sheet (SDS) for specific instructions. Ingestion, inhalation, or skin contact can be hazardous, so immediate medical attention is necessary if exposure occurs.

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