81167-60-4

Basic information

• Product Name: 4-tert-butyl-2-chloropyridine
• Synonyms: 4-tert-butyl-2-chloropyridine;4-tert-butyl-2-chloropyridine4-tert-butyl-2-chloropyridine;4-(tert-Butyl)-2-chloropyridine
• CAS NO: 81167-60-4
• Molecular Formula: C₉H₁₂ClN
• Molecular Weight: 169.65128
• EINECS: -0
• Mol File: 81167-60-4.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 223.8±20.0 °C(Predicted)
• Appearance: /
• Density: 1.051±0.06 g/cm3(Predicted)
• Refractive Index: 1.5130 to 1.5170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 1.04±0.10(Predicted)
• CAS DataBase Reference: 4-tert-butyl-2-chloropyridine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-tert-butyl-2-chloropyridine(81167-60-4)
• EPA Substance Registry System: 4-tert-butyl-2-chloropyridine(81167-60-4)

Safety Data

• Hazardous Substances Data: 81167-60-4(Hazardous Substances Data)

Usage

General Description

4-tert-butyl-2-chloropyridine is a chemical compound with the molecular formula C9H12ClN. It is a chlorinated derivative of pyridine, a six-membered aromatic ring with one nitrogen atom. The "4-tert-butyl" group refers to a tert-butyl group, which consists of three methyl groups bonded to a central carbon atom, located at position 4 of the pyridine ring. 4-tert-butyl-2-chloropyridine is used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and organic materials. It is also used as an intermediate in the production of specialty chemicals. 4-tert-butyl-2-chloropyridine is a colorless to pale yellow liquid with a strong odor, and it should be handled and used with appropriate safety precautions due to its potential hazards.

Upstream product

• 23569-17-7 4-tert-butylpyridine N-oxide 
• 3978-81-2 4-tert-butylpyridine 
• 109-09-1 2-chloropyridine 
• 38442-51-2 tert-butylmercury chloride 

Downstream Products

• 1350449-24-9 C₄₁H₆₁NO₄ 
• 1350449-25-0 4-tert-butylpyridine-2,6-bis[2-(4,6-di-tert-butylphenol)] 
• 583052-24-8 2-(2',4'-difluorophenyl)-4-tert-butyl-pyridine 
• 50488-34-1 4-(tert-butyl)-2-bromopyridine 
• 53911-36-7 4-(tert-butyl)-2-phenylpyridine 
• 2050-23-9 diethyl suberate 
• 72914-19-3 4,4'-di-tert-butyl-2,2'-bipyridine 

Relevant articles and documents

MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

This disclosure provides modulators of Cystic Fibrosis Transmembrane Conductance Regulator (CFTR), pharmaceutical compositions containing at least one such modulator, methods of treatment of cystic fibrosis using such modulators and pharmaceutical compositions, and processes for making such modulators.

A preparation method of 4-tert-butyl-2-chloropyridine and 4-tert-butyl-2,6-dichloro-pyridine

The invention discloses a preparation method of 4-tert-butyl-2-chloropyridine and 4-tert-butyl-2,6-dichloro-pyridine. 4-tert-butylpyridine is used as a raw material to be reacted with a chlorination reagent at set temperature under the action of a strong base and an additive to obtain the 4-tert-butyl-2-chloropyridine, and the 4-tert-butyl-2-chloropyridine is used as a raw material to be reacted with a chlorination reagent at set temperature under the action of a strong base and an additive to obtain the 4-tert-butyl-2,6-dichloro-pyridine. The route of the invention has the advantages of shortreaction steps, mild conditions and simple operation and is suitable for large-scale preparation of the 4-tert-butyl-2-chloropyridine and the 4-tert-butyl-2,6-dichloro-pyridine.

Stereo- and Regioselective Alkyne Hydrometallation with Gold(III) Hydrides

The hydroauration of internal and terminal alkynes by gold(III) hydride complexes [(C^N^C)AuH] was found to be mediated by radicals and proceeds by an unexpected binuclear outer-sphere mechanism to cleanly form trans-insertion products. Radical precursors such as azobisisobutyronitrile lead to a drastic rate enhancement. DFT calculations support the proposed radical mechanism, with very low activation barriers, and rule out mononuclear mechanistic alternatives. These alkyne hydroaurations are highly regio- and stereospecific for the formation of Z-vinyl isomers, with Z/E ratios of >99:1 in most cases.