2-Methyl-2-propanyl 4-(6-bromo-2-pyridinyl)-1-piperazinecarboxylate

Basic Information

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CAS Number

331767-56-7

Molecular Formula

C14H20BrN3O2

Molecular Weight

342.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

94-98 °C

Boiling Point

445.3°C at 760 mmHg

Density

1.372

Flash Point

223.1°C

Refractive Index

1.559

Vapor Pressure

0.0±1.1 mmHg at 25°C

SMILES

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CC(C)(C)OC(=O)N1CCN(CC1)c2cccc(n2)Br

InChI

InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-6-4-5-11(15)16-12/h4-6H,7-10H2,1-3H3

InChIKey

CQSAPHUUCUUHNS-UHFFFAOYSA-N

LogP

2.901200000000001

Topological Polar Surface Area

45.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

tert-Butyl 4-(6-bromopyridin-2-yl)piperazine-1-carboxylate
4-Boc-1-(6-bromo-2-pyridyl)piperazine
t-Butyl 4-(6-bromopyridin-2-yl)piperazine-1-carboxylate
1-piperaz<wbr>

MDL Number

MFCD07369773

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-(6-bromo-2-pyridinyl)-1-piperazinecarboxylate (CAS: 331767-56-7)?

2-Methyl-2-propanyl 4-(6-bromo-2-pyridinyl)-1-piperazinecarboxylate is a crystalline solid with a molecular weight of approximately 333.11 g/mol. It is moderately soluble in common organic solvents like DMSO and dichloromethane. This compound is known for its chemical stability and reactivity towards nucleophiles, making it suitable for various synthetic transformations.

How is 2-Methyl-2-propanyl 4-(6-bromo-2-pyridinyl)-1-piperazinecarboxylate (CAS: 331767-56-7) typically synthesized?

2-Methyl-2-propanyl 4-(6-bromo-2-pyridinyl)-1-piperazinecarboxylate is commonly synthesized via a multi-step process involving the bromination of a pyridine derivative followed by piperazine coupling. The reaction typically yields high purity products with good selectivity and yield. The use of appropriate catalysts and solvents is crucial for achieving optimal results.

What industries use 2-Methyl-2-propanyl 4-(6-bromo-2-pyridinyl)-1-piperazinecarboxylate (CAS: 331767-56-7)?

2-Methyl-2-propanyl 4-(6-bromo-2-pyridinyl)-1-piperazinecarboxylate is used in the pharmaceutical industry for the synthesis of intermediates and drugs. It also finds applications in polymer chemistry for developing advanced materials, and in the manufacturing of sensors due to its unique chemical properties.

What precautions should be taken when handling 2-Methyl-2-propanyl 4-(6-bromo-2-pyridinyl)-1-piperazinecarboxylate (CAS: 331767-56-7)?

When handling 2-Methyl-2-propanyl 4-(6-bromo-2-pyridinyl)-1-piperazinecarboxylate, it is crucial to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly cleaned. Always consult the SDS for specific safety guidelines.