N-(2-Chloroethyl)ethylenediamine dihydrochloride

Base Information

• Chemical Name: N-(2-Chloroethyl)ethylenediamine dihydrochloride
• CAS No.: 5590-29-4
• Molecular Formula: C4H13Cl3N2
• Molecular Weight: 195.52
• Hs Code.: 2921290000
• Mol file: 5590-29-4.mol

Synonyms:N-(2-Chloroethyl)ethylenediamine dihydrochloride;NSC 74841;AI3-61352;ETHYLENEDIAMINE, N-(2-CHLOROETHYL)-, DIHYDROCHLORIDE;1,2-Ethanediamine, N-(2-chloroethyl)-, dihydrochloride;N1-(2-chloroethyl)ethane-1,2-diamine hydrochloride;LS-68402;A26310

Chemical Property of N-(2-Chloroethyl)ethylenediamine dihydrochloride

Chemical Property:

• Vapor Pressure: 0.212mmHg at 25°C
• Melting Point: 163-167℃ (methanol )
• Boiling Point: 208.6°Cat760mmHg
• Flash Point: 79.9°C
• PSA: 38.05000
• Density: g/cm³
• LogP: 1.66670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 194.014432
• Heavy Atom Count: 9
• Complexity: 32.9

Purity/Quality:

99%, ^*data from raw suppliers

N-(2-Chloroethyl)-1,2-ethanediamineDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C[NH2+]CCCl)[NH3+].[Cl-].[Cl-]

Technology Process of N-(2-Chloroethyl)ethylenediamine dihydrochloride

There total 2 articles about N-(2-Chloroethyl)ethylenediamine dihydrochloride 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: 90.0%

N-(2-hydroxyethyl)-ethylenediamine dihydrochloride (20267-35-0,25352-31-2,59024-73-6) → N1-(2-chloroethyl)ethane-1,2-diamine dihydrochloride (5590-29-4)

Guidance literature:

With thionyl chloride; for 2h; Reflux;

DOI:10.1016/j.bmc.2016.12.031

Reference yield: 57.0%

2-(2-Aminoethylamino)ethanol (111-41-1) → N1-(2-chloroethyl)ethane-1,2-diamine dihydrochloride (5590-29-4)

Guidance literature:

2-(2-Aminoethylamino)ethanol; With hydrogenchloride; In ethanol; water;

With thionyl chloride; for 2h; Reflux;

DOI:10.1039/c9nj03817e

Reference yield:

N1-(2-chloroethyl)ethane-1,2-diamine dihydrochloride (5590-29-4) → 1-(2-amino-ethyl)-aziridine (4025-37-0) + piperazine (110-85-0)

Guidance literature:

With sodium hydroxide; In water; at 20 - 50 ℃; Kinetics; Thermodynamic data; D2O+NaOD ,kinetic isotope effect, E(activ.), ΔH(activ.), ΔS(activ.);

upstream raw materials:

N-(2-hydroxyethyl)-ethylenediamine dihydrochloride

2-(2-Aminoethylamino)ethanol

Downstream raw materials:

1-(2-amino-ethyl)-aziridine

piperazine

triethylentetramine

Refernces

• 1、 Braud, Emmanuelle,De Franco, Michele,Demange, Luc,Ethève-Quelquejeu, Mélanie,Garbay, Christiane,Gresh, Nohad,Ongaro, Alberto,Ribaudo, Giovanni,Zagotto, Giuseppe. "Design and synthesis of a peptide derivative of ametantrone targeting the major groove of the d(GGCGCC)2 palindromic sequence". supporting information. p. 3624 - 3631. Retrieved 2020/03/17.