Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride

Base Information

• Chemical Name: Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride
• CAS No.: 69082-76-4
• Molecular Formula: C13H30ClN3
• Molecular Weight: 263.854
• European Community (EC) Number: 614-921-6
• DSSTox Substance ID: DTXSID10887647
• Mol file: 69082-76-4.mol

Synonyms:69082-76-4;Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride;Hexaethylguanidinium chloride;HEXAETHYL GUANIDINIUM CHLORIDE;HEXAETHYLGUANIDIUM CHLORIDE;bis(diethylamino)methylidene-diethylazanium;chloride;Ethanaminium, N-(bis(diethylamino)methylene)-N-ethyl-, chloride;Ethanaminium,N-[bis(diethylamino)methylene]-N-ethyl-, chloride (1:1);Ethanaminium, N-(bis(diethylamino)methylene)-N-ethyl-, chloride (1:1);Hegcl;Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride (1:1);SCHEMBL261161;C13H30N3.Cl;C13-H30-N3.Cl;DTXSID10887647;LYWKAJZTPLXHEM-UHFFFAOYSA-M;MFCD08704786;F87302;N-(Bis(diethylamino)methylene)-N-ethylethanaminium chloride

Chemical Property of Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride

Chemical Property:

• Melting Point: 134 °C
• PSA: 9.49000
• LogP: -0.91770
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 263.2128257
• Heavy Atom Count: 17
• Complexity: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=[N+](CC)CC)N(CC)CC.[Cl-]

Technology Process of Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride

There total 7 articles about Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride 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: 89.0%

N-(chloro(diethylamino)methylene)-N-ethylethanaminium chloride (70976-93-1) + diethylamine (109-89-7) → N-[bis(diethylamino)methylene]-N-ethylethane ammonium chloride (69082-76-4)

Guidance literature:

With triethylamine; for 1h; Ambient temperature;

Reference yield: 52.0%

1,1,2,2,3,3-Hexaethylguanidiniumthiocyanat (74119-86-1) + benzoyl chloride (98-88-4) → N-[bis(diethylamino)methylene]-N-ethylethane ammonium chloride (69082-76-4) + Benzoyl isothiocyanate (532-55-8)

Guidance literature:

In dichloromethane; at 40 ℃; for 3h;

Reference yield: 41.0%

1,1,2,2,3,3-Hexaethylguanidiniumcyanat (74201-02-8) + 3-Methylbenzoyl chloride (1711-06-4) → (3-Methylbenzoyl)-isocyanat (5893-29-8) + N-[bis(diethylamino)methylene]-N-ethylethane ammonium chloride (69082-76-4)

Guidance literature:

In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

1,1,2,2,3,3-Hexaethylguanidiniumcyanat

benzoyl chloride

1,1,2,2,3,3-Hexaethylguanidiniumthiocyanat

N-(chloro(diethylamino)methylene)-N-ethylethanaminium chloride

Downstream raw materials:

CF₃O₃S^(1-)*C₁₇H₂₅N₂⁽¹⁺⁾

C₂₁H₃₅N₃

1,1,2,2,3,3-Hexaethylguanidinium-tetraphenylborat

Refernces

• 1、 Kantlehner, Willi,Haug, Erwin,Mergen, Walter W.,Speh, Peter,Maier, Thomas,et al.. "Ein Herstellungsverfahren fuer N,N,N',N',N'',N''-Hexaalkylguanidinium-chloride". . p. 904 - 905. Retrieved 2007/10/02.