55-51-6

Basic information

• Product Name: N,N-BIS(2-CHLOROETHYL)BENZENEMETHANAMINE
• Synonyms: N,N-BIS(2-CHLOROETHYL)BENZENEMETHANAMINE;benzylbis(beta-chloroethyl)amine;benzylnor-mechlorethamine;bis(2-chloroethyl)benzylamine;dcba;di-(2-chloroethyl)-benzylamine;n,n-bis(2-chloroethyl)-benzenemethanamin;n,n-bis(2-chloroethyl)-benzylamin
• CAS NO: 55-51-6
• Molecular Formula: C₁₁H₁₅Cl₂N
• Molecular Weight: 232.15
• Mol File: 55-51-6.mol
• Article Data: 39

Chemical Properties

• Melting Point: 148-150 °C
• Boiling Point: 371.94°C (rough estimate)
• Flash Point: 100.5 °C
• Appearance: /
• Density: 1.2093 (rough estimate)
• Vapor Pressure: 0.0336mmHg at 25°C
• Refractive Index: 1.6300 (estimate)
• PKA: 4.15±0.30(Predicted)
• CAS DataBase Reference: N,N-BIS(2-CHLOROETHYL)BENZENEMETHANAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: N,N-BIS(2-CHLOROETHYL)BENZENEMETHANAMINE(55-51-6)
• EPA Substance Registry System: N,N-BIS(2-CHLOROETHYL)BENZENEMETHANAMINE(55-51-6)

Safety Data

• Hazardous Substances Data: 55-51-6(Hazardous Substances Data)

Usage

Safety Profile

Poison by ingestion and possiblyother routes. Mutation data reported. When heated todecomposition it emits very toxic fumes of Cl- and NOx.

InChI:InChI=1/C11H15Cl2N/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2

Upstream product

• 101-32-6 N-benzyl-diethanolamine 
• 100-52-7 benzaldehyde 
• 118753-70-1 N-(tert-butyloxycarbonyl)bis(2-chloroethyl)amine 
• 100-44-7 benzyl chloride 
• 100-46-9 benzylamine 
• 821-48-7 bis-(2-chloroethyl)amine hydrochloride 
• 10429-82-0 N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine hydrochloride 
• 100-39-0 benzyl bromide 
• 334-22-5 N,N-bis(chloro-2-ethyl)amine 

Downstream Products

• 99858-22-7 benzyl-bis-(2-chloro-ethyl)-amine oxide 
• 56243-25-5 1-benzyl-4-cyano-4-phenylpiperidine 
• 109505-97-7 1,1-diethyl-4-benzyl-piperazinium; chloride 
• 134697-63-5 1'-benzyl-3,4-dihydro-2-oxospiro 
• 218933-35-8 4-(4-benzylpiperazin-1-yl)-1,3-dihydro-benzoimidazol-2-one 
• 766550-18-9 1-benzyl-4-(1-hydroxymethylcyclopentyl)piperazine 
• 766550-16-7 1-benzyl-4-(1-hydroxymethylcyclohexyl)piperazine 
• 853644-34-5 benzyl-[2-(4'-chloro-biphenyl-4-yloxy)-ethyl]-(2-chloro-ethyl)-amine 
• 282547-25-5 8-(4-benzyl-piperazin-1-yl)quinoline 
• 198627-53-1 4-benzyl-1-[4-(2-methoxycarbonylethyl)phenyl]piperazine 
• 198627-55-3 4-benzyl-1-(3,4-dimethoxycarbonylmethyloxyphenyl)piperazine 
• 137730-68-8 1'-benzyl-6,7,8,9-tetrahydro-6-oxospiro<5H-benzocycloheptene-5,4'-piperidine> 
• 282547-70-0 8-(4-benzyl-piperazin-1-yl)-6-methoxy-quinoline 
• 40489-73-4 1-benzyl-4-(tert-butyl)piperazine 

Relevant articles and documents

The synthesis of a di-N-heterocyclic carbene-amido complex of palladium(II)

A diimidazolium salt incorporating a secondary amine moiety has been used to prepare a palladium(II) di-N-heterocyclic carbene amino complex that can be deprotonated with NaH to give the first example of a transition metal NHC-amide.

SUBSTITUTED OXAZOLIDINONES FOR THE TREATMENT OF MAMMALIAN INFECTIONS

Present invention relates to novel compound of formula (I), their enantiomers, their diastereomers, their pharmaceutically accepted salts, or pro-drugs thereof, which are useful for the treatment of bacterial infection.

Design and Synthesis of Orally Bioavailable Piperazine Substituted 4(1H)-Quinolones with Potent Antimalarial Activity: Structure-Activity and Structure-Property Relationship Studies

Malaria deaths have been decreasing over the last 10-15 years, with global mortality rates having fallen by 47% since 2000. While the World Health Organization (WHO) recommends the use of artemisinin-based combination therapies (ACTs) to combat malaria, the emergence of artemisinin resistant strains underscores the need to develop new antimalarial drugs. Recent in vivo efficacy improvements of the historical antimalarial ICI 56,780 have been reported, however, with the poor solubility and rapid development of resistance, this compound requires further optimization. A series of piperazine-containing 4(1H)-quinolones with greatly enhanced solubility were developed utilizing structure-activity relationship (SAR) and structure-property relationship (SPR) studies. Furthermore, promising compounds were chosen for an in vivo scouting assay to narrow selection for testing in an in vivo Thompson test. Finally, two piperazine-containing 4(1H)-quinolones were curative in the conventional Thompson test and also displayed in vivo activity against the liver stages of the parasite.