2,6-Bis(2-methyl-2-propanyl)pyridine

Basic Information

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CAS Number

585-48-8

Molecular Formula

C13H21N

Molecular Weight

191.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

2°C

Boiling Point

101°C/23mmHg

Water Solubility

Miscible with alcohol, acetone, and hexane. Immiscible with water.

Refractive Index

n20/D 1.473(lit.)

SMILES

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CC(C)(C)C1=NC(=CC=C1)C(C)(C)C

InChI

InChI=1S/C13H21N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-9H,1-6H3

InChIKey

UWKQJZCTQGMHKD-UHFFFAOYSA-N

LogP

3.6766000000000023

pKa

3.58(at 25℃)

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

162

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable. Combustible. Incompatible with strong acids, strong oxidizing agents.

Synonyms & References

English

?2,6-di(tert-butyl)pyridine
NSC175805
NS00000667
2, 6-di-tert-butyl pyridine
FT-0610733
D1804
2,6-di-tert-butylpyridin
A831919
2,6-Di-tert-butyl pyridine
AKOS015892288
2,6di-tert-butylpyridine
CHEBI:183988
EN300-195074
UNII-OI9LF0H4MM
2,6-di-tert-butyl-pyridine
2,6-di-tertiarybutylpyridine
InChI=1/C13H21N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-9H,1-6H3
2,6-DI-T-BUTYL PYRIDINE
UWKQJZCTQGMHKD-UHFFFAOYSA-
SY009796
OI9LF0H4MM
2,6-ditertiary-butylpyridine
MFCD00006306
2,6-di-(tert-butyl)pyridine
J-507390
SCHEMBL42955
DTXSID80207217
DS-18353
2,6-ditert-butylpyridine
EINECS 209-557-6
Pyridine, 2,6-bis(1,1-dimethylethyl)-

MDL Number

MFCD00006306

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2,6-Bis(2-methyl-2-propanyl)pyridine (CAS: 585-48-8)?

2,6-Bis(2-methyl-2-propanyl)pyridine (CAS: 585-48-8) is a crystalline solid with a molecular weight of approximately 234.34 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. This compound is moderately reactive, particularly with strong acids. It is stable under normal conditions but should be stored away from strong oxidizers and reducing agents.

How is 2,6-Bis(2-methyl-2-propanyl)pyridine (CAS: 585-48-8) typically synthesized?

2,6-Bis(2-methyl-2-propanyl)pyridine is typically synthesized via the reaction of 2,6-dimethylpyridine with propionyl chloride in the presence of a suitable base, such as pyridine or triethylamine, under mild conditions. The reaction is selective and yields high purity products. The process is carried out in an inert atmosphere to prevent side reactions.

What industries use 2,6-Bis(2-methyl-2-propanyl)pyridine (CAS: 585-48-8)?

2,6-Bis(2-methyl-2-propanyl)pyridine (CAS: 585-48-8) is used in various industries, including pharmaceuticals, where it serves as a precursor for organic synthesis. It is also utilized in the synthesis of polymers and semiconductors. Additionally, it finds applications in the production of sensors and as a reagent in organic chemistry.

What precautions should be taken when handling 2,6-Bis(2-methyl-2-propanyl)pyridine (CAS: 585-48-8)?

When handling 2,6-Bis(2-methyl-2-propanyl)pyridine (CAS: 585-48-8), it is essential to wear personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood due to its potential volatility. In case of a spill, immediately clean it up using absorbent material and dispose of it according to the Material Safety Data Sheet (MSDS). Always follow the guidelines provided in the MSDS for safe handling and disposal.