Carbethoxymethyltrimethylammonium bromide

Base Information

• Chemical Name: Carbethoxymethyltrimethylammonium bromide
• CAS No.: 60379-56-8
• Molecular Formula: C7H16BrNO2
• Molecular Weight: 226.114
• DSSTox Substance ID: DTXSID60975785
• Mol file: 60379-56-8.mol

Synonyms:Ammonium, carbethoxymethyl trimethyl-, bromide;60379-56-8;NIOSH/BP3135700;BP31357000;Betain ethyl ester bromide;(Carboxymethyl)trimethylammonium bromide ethyl ester;Ammonium, (carboxymethyl)trimethyl-, bromide, ethyl ester;Carbethoxymethyltrimethylammonium bromide;DTXSID60975785;2-Ethoxy-N,N,N-trimethyl-2-oxoethan-1-aminium bromide

Chemical Property of Carbethoxymethyltrimethylammonium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 225.03644
• 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.[Br-]

Technology Process of Carbethoxymethyltrimethylammonium bromide

There total 5 articles about Carbethoxymethyltrimethylammonium bromide 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: 97.0%

betaine (107-43-7) + cyanomethyl bromide (590-17-0) → Trimethylammoniumessigsaeurebetain-ethylester-bromid (60379-56-8) + glycolonitrile (107-16-4)

Guidance literature:

In ethanol; at 40 ℃; for 72h; Yields of byproduct given;

DOI:10.1007/BF00811130

Reference yield: 89.0%

cyanomethyl bromide (590-17-0) → Trimethylammoniumessigsaeurebetain-ethylester-bromid (60379-56-8) + glycolonitrile (107-16-4)

Guidance literature:

With betaine; In ethanol; at 40 ℃; for 72h; Yields of byproduct given;

DOI:10.1007/BF00811130

Reference yield: 62.0%

ethanol (64-17-5) + Trimethylammoniumessigsaeurebetain-phenacylester-bromid → Trimethylammoniumessigsaeurebetain-ethylester-bromid (60379-56-8) + carboxymethyl-trimethyl-ammonium betaine; hydrobromide (2:1) (5938-06-7) + 1-phenyl-2-hydroxyethanone (582-24-1)

Guidance literature:

With betaine; at 40 ℃; for 144h;

DOI:10.1007/BF00810092

upstream raw materials:

ethanol

betaine

α-bromoacetophenone

cyanomethyl bromide

Downstream raw materials:

betaine

phenylpropynoic acid ethyl ester

ethyl trans-3-phenyl-1-oxirane-2-carboxylate

Refernces

• 1、 Wittmann, Helga,Ziegler, Erich. "Reactions with Betaines, XXIII. Reactions of Nitrogen- and Sulphur-Betaines with Reactive Halides". . p. 103 - 112. Retrieved 2007/10/02.