N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-2-(1-pyrrolidinyl)ethylamine

Base Information

• Chemical Name: N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-2-(1-pyrrolidinyl)ethylamine
• CAS No.: 138356-08-8
• Molecular Formula: C15H22Cl2N2
• Molecular Weight: 301.259
• UNII: JCY43QE7FQ
• DSSTox Substance ID: DTXSID60160639
• Nikkaji Number: J442.764E
• Wikipedia: BD1008
• Wikidata: Q12744660
• Pharos Ligand ID: 4YGCQVRPB3S2
• ChEMBL ID: CHEMBL20377
• Mol file: 138356-08-8.mol

Synonyms:BD 1008;BD-1008;BD1008;DEMPEA;N-(2-(3,4-dichlorophenyl)ethyl)-N-methyl-2-(1-pyrrolidinyl)ethylamine

Chemical Property of N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-2-(1-pyrrolidinyl)ethylamine

Chemical Property:

• Vapor Pressure: 2.7E-06mmHg at 25°C
• Boiling Point: 390.2°Cat760mmHg
• Flash Point: 189.8°C
• PSA: 6.48000
• Density: 1.164g/cm³
• LogP: 5.41760
• Storage Temp.: Store at -20°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 300.1160041
• Heavy Atom Count: 19
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

BD 1008 dihydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2
• Uses: An α receptor antagonist, attenuating the biochemical effects of cocaine. Also studied was this compounds ability to prevent neuropathic pain following chemotherapy.

Technology Process of N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-2-(1-pyrrolidinyl)ethylamine

There total 4 articles about N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-2-(1-pyrrolidinyl)ethylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-[2-(3,4-dichlorophenyl)acetyl]-N-methyl-2-(1-pyrrolidinyl)ethylamine (116763-50-9) → N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(1-pyrrolidinyl)ethylamine (138356-08-8)

Guidance literature:

With aluminium hydride; In tetrahydrofuran; for 0.0833333h; Ambient temperature;

DOI:10.1021/jm00079a004

Reference yield:

1-(2-methylaminoethyl)pyrrolidine (32776-22-0) → N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(1-pyrrolidinyl)ethylamine (138356-08-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / N,N'-dicyclohexylcarbodiimide (DCC) / CH₂Cl₂ / 0.5 h / Ambient temperature

2: AlH₃ / tetrahydrofuran / 0.08 h / Ambient temperature

With aluminium hydride; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00079a004

Reference yield:

3,4-dichlorophenyl acetic acid (5807-30-7) → N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(1-pyrrolidinyl)ethylamine (138356-08-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / N,N'-dicyclohexylcarbodiimide (DCC) / CH₂Cl₂ / 0.5 h / Ambient temperature

2: AlH₃ / tetrahydrofuran / 0.08 h / Ambient temperature

With aluminium hydride; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00079a004

upstream raw materials:

N-[2-(3,4-dichlorophenyl)acetyl]-N-methyl-2-(1-pyrrolidinyl)ethylamine

1-(2-methylaminoethyl)pyrrolidine

3,4-dichlorophenyl acetic acid

1-(2-chloroethyl)pyrrolidine hydrochloride

Downstream raw materials:

N-<2-(2-nitro-4,5-dichlorophenyl)-1-ethyl>-N-methyl-2-(1-pyrrolidinyl)ethylamine

Refernces