Ethoxycarbonylmethyltrimethylammonium chloride

Base Information

• Chemical Name: Ethoxycarbonylmethyltrimethylammonium chloride
• CAS No.: 3032-11-9
• Molecular Formula: C7H16 N O2 . Cl
• Molecular Weight: 181.663
• Hs Code.: 2923900090
• European Community (EC) Number: 221-213-7
• DSSTox Substance ID: DTXSID90883940
• Mol file: 3032-11-9.mol

Synonyms:3032-11-9;Betaine Ethyl Ester Chloride;Ethoxycarbonylmethyltrimethylammonium chloride;(2-ethoxy-2-oxoethyl)-trimethylazanium;chloride;Ethanaminium, 2-ethoxy-N,N,N-trimethyl-2-oxo-, chloride;Ethanaminium, 2-ethoxy-N,N,N-trimethyl-2-oxo-, chloride (1:1);(2-ethoxy-2-oxoethyl)-trimethylazanium chloride;(Carbethoxymethyl)trimethylammonium chloride;DTXSID90883940;EINECS 221-213-7;(2-ethoxy-2-oxo-ethyl)-trimethyl-ammonium

Chemical Property of Ethoxycarbonylmethyltrimethylammonium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 26.30000
• Density: g/cm³
• LogP: -2.74030
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C[N+](C)(C)C.[Cl-]

Technology Process of Ethoxycarbonylmethyltrimethylammonium chloride

There total 6 articles about Ethoxycarbonylmethyltrimethylammonium 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: 55.0%

ethanol (64-17-5) + betaine (107-43-7) → ethyl 2-hydroxyacetate (623-50-7) + N-<(ethoxycarbonyl)methyl>trimethylammonium chloride (3032-11-9)

Guidance literature:

With chloroacetic acid ethyl ester; at 40 ℃; for 192h;

DOI:10.1007/BF00810092

Reference yield:

chloroacetic acid ethyl ester (105-39-5) + trimethylamine (75-50-3) → N-<(ethoxycarbonyl)methyl>trimethylammonium chloride (3032-11-9)

Guidance literature:

With ethanol;

Reference yield:

ethanol (64-17-5) + N-chlorobetainyl chloride (53684-57-4) → N-<(ethoxycarbonyl)methyl>trimethylammonium chloride (3032-11-9)

Guidance literature:

With chloroform;

DOI:10.1002/hlca.6602801189

upstream raw materials:

ethanol

N-chlorobetainyl chloride

methyl chloroacetate

trimethylamine

Downstream raw materials:

betaine

Bisdimethylamino-phenyl-aethoxycarbonylmethyl-phosphoran

ethanol

betaine hydrochloride

Refernces

• 1、 Zhang, Xian-Man,Bordwell, Frederick G.,Puy, Michael Van Der,Fried, Herbert E.. "Equilibrium Acidities and Homolytic Bond Dissociation Energies of the Acidic C-H Bonds in N-Substituted Trimethylammonium and Pyridinium Cations". . p. 3060 - 3066. Retrieved 2007/10/02.