Trientine HCl

Base Information

• Chemical Name: Trientine HCl
• CAS No.: 4961-40-4
• Molecular Formula: C6H22Cl4N4
• Molecular Weight: 292.079
• Hs Code.: 2921290000
• NSC Number: 759164,158271
• DSSTox Substance ID: DTXSID80419994
• ChEMBL ID: CHEMBL1200783
• Mol file: 4961-40-4.mol

Synonyms:Trientine HCl;21121-06-2;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;hydrochloride;triethylenetetramine HCl;SMR000058543;MLS000069683;SCHEMBL205201;CHEMBL1200783;DTXSID80419994;XPVOJYDIBHYVFL-UHFFFAOYSA-N;Pharmakon1600-01505675;NSC158271;NSC759164;1, N,N'-bis(2-aminoethyl)-, tetrahydrochloride

Chemical Property of Trientine HCl

Chemical Property:

• Appearance/Colour: light yellow crystalline powder
• Vapor Pressure: 0.00861mmHg at 25°C
• Melting Point: 269-270oC(lit.)
• Boiling Point: 344.6°Cat760mmHg
• Flash Point: 162.2°C
• PSA: 76.10000
• Density: 1.49g/cm³
• LogP: 3.47340
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 182.1298243
• Heavy Atom Count: 11
• Complexity: 49.7

Purity/Quality:

98% ^*data from raw suppliers

Triethylenetetramine Tetrahydrochloride >60.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-40
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CNCCNCCN)N.Cl
• Uses: Triethylenetetramine tetrahydrochloride was used as primary amine displacer in affinity chromatography.

Technology Process of Trientine HCl

There total 4 articles about Trientine HCl 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: 92.3%

1,3-bis-(2-benzylidenamino-ethyl)-2-phenyl-imidazolidine (81904-67-8) → triethylenetetramine tetrahydrochloride (4961-40-4)

Guidance literature:

With hydrogenchloride; water; at 17 - 20 ℃; for 0.683333h; Product distribution / selectivity;

Reference yield:

triethylentetramine (112-24-3) → triethylenetetramine tetrahydrochloride (4961-40-4)

Guidance literature:

triethylentetramine; With water; In tert-butyl methyl ether; isopropyl alcohol; at -5 - 35 ℃; for 2.5h; Inert atmosphere;

With hydrogenchloride; In ethanol; water; at -5 - 40 ℃; for 3.16667h; pH=1; Inert atmosphere;

Reference yield:

tert-butyl N-(2-aminoethyl)-N-[2-(2-aminoethyl(tert-butoxycarbonyl)amino)ethyl]carbamate (206531-21-7) → triethylenetetramine tetrahydrochloride (4961-40-4)

Guidance literature:

With hydrogenchloride; water; isopropyl alcohol; at 70 ℃; for 0.5h; Product distribution / selectivity;

upstream raw materials:

1,3-bis-(2-benzylidenamino-ethyl)-2-phenyl-imidazolidine

2-[3-(2-amino-ethyl)-2-phenylimidazolidin-1-yl]-ethylamine

tert-butyl N-(2-aminoethyl)-N-[2-(2-aminoethyl(tert-butoxycarbonyl)amino)ethyl]carbamate

triethylentetramine

Downstream raw materials:

6A-{{2-{{2-[(2-aminoethyl)amino]ethyl}amino}ethyl}amino}-6A-deoxy-β-cyclodextrin

N,N'-bis(2-aminoethyl)ethane-1,2-diamine dihydrochloride

triethylentetramine

Refernces

• 1、 -. "Synthesis of triethylenetetramines". Page/Page column 28. . Retrieved 2008/06/13.