50846-01-0

Basic information

• Product Name: 2-(2-chloroethyl)-1-methylpiperidine
• Synonyms: PIPERIDINE, 2-(2-CHLOROETHYL)-1-METHYL [THIORIDAZINE BASE]
• CAS NO: 50846-01-0
• Molecular Formula: C₈H₁₆ClN
• Molecular Weight: 161.6723
• EINECS: 256-796-7
• Mol File: 50846-01-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 111-113 °C
• Boiling Point: 205.1°Cat760mmHg
• Flash Point: 77.8°C
• Appearance: /
• Density: 0.971g/cm³
• Vapor Pressure: 0.255mmHg at 25°C
• Refractive Index: 1.459
• PKA: 9.74±0.10(Predicted)
• CAS DataBase Reference: 2-(2-chloroethyl)-1-methylpiperidine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-chloroethyl)-1-methylpiperidine(50846-01-0)
• EPA Substance Registry System: 2-(2-chloroethyl)-1-methylpiperidine(50846-01-0)

Safety Data

• Hazardous Substances Data: 50846-01-0(Hazardous Substances Data)

Usage

Classification

N-ethylpiperidine derivative

Physical state

Clear, colorless liquid

Odor

Distinct

Volatility

Volatile

Flammability

Flammable

Uses

Organic synthesis intermediate for pharmaceuticals and agrochemicals, building block for other organic compounds, key ingredient in pharmaceutical products

Safety precautions

Potential hazardous properties, such as skin and eye irritation; proper handling and storage required

InChI:InChI=1/C8H16ClN/c1-10-7-3-2-4-8(10)5-6-9/h8H,2-7H2,1H3

Upstream product

• 103-74-2 2-(2-Hydroxyethyl)pyridine 
• 533-15-3 2-(1-methyl-piperidin-2-yl)-ethanol 

Downstream Products

• 32367-75-2 thioridazine 
• 103388-22-3 (3-chloro-phenyl)-[2-(1-methyl-[2]piperidyl)-ethyl]-phenyl-amine 
• 110249-36-0 [2-(1-methyl-[2]piperidyl)-ethyl]-phenyl-m-tolyl-amine 
• 112741-81-8 2-chloro-7-methoxy-10-[2-(1-methyl-piperidin-2-yl)-ethyl]-10H-phenothiazine 
• 112741-82-9 2-chloro-8-methoxy-10-[2-(1-methyl-[2]piperidyl)-ethyl]-phenothiazine 
• 112718-01-1 (3-methoxy-phenyl)-[2-(1-methyl-[2]piperidyl)-ethyl]-phenyl-amine 
• 109615-32-9 (3-bromo-phenyl)-[2-(1-methyl-[2]piperidyl)-ethyl]-phenyl-amine 
• 103503-61-3 bis-(3-chloro-phenyl)-[2-(1-methyl-[2]piperidyl)-ethyl]-amine 
• 102166-79-0 N-(2-(1-methylpiperidin-2-yl)ethyl)-N-phenylaniline 
• 60634-41-5 (+)-2-bromo-10-[2-(1-methyl-[2]piperidyl)-ethyl]-phenothiazine 
• 60634-41-5 NCI186058 
• 47621-58-9 9-[(E)-2-(1-methyl-piperidin-2-yl)-ethylidene]-thioxanthene-2-sulfonic acid dimethylamide 
• 1003194-27-1 3-(2-(1-methylpiperidin-2-yl)ethyl)benzonitrile 
• 295320-16-0 2-(4-fluorophenyl)-1-(4-[2-(1-methyl(2-piperidyl))ethoxy]benzyl)-6-(phenylmethoxy)-1,2,3,4-tetrahydroisoquinoline 

Relevant articles and documents

Rigidified acetylcholine mimics: Conformational requirements for binding to neuronal nicotinic receptors

Rigidified derivatives have been designed and synthesized assuming the g+t conformer of acetylcholine (N-C-C-O=+60°, C-C-O-C=180°) as active conformation for binding to cytisine sensitive neuronal nicotinic receptors. The SAR of the compounds evaluated, along with those of more flexible analogues, support the g+t conformer hypothesis and highlight the stringent steric limitation of this nicotinic receptor sub-type. Compound 3e has low μM affinity for cytisine sensitive nicotinic receptor binding sites while being selective with regard to the α-bungarotoxin sensitive subclass. We also report few compounds with μM affinity for the α-bungarotoxin sensitive subclass.