Oxibetaine

Base Information

• Chemical Name: Oxibetaine
• CAS No.: 7002-65-5
• Molecular Formula: C₆H₁₃NO₃
• Molecular Weight: 147.174
• Mol file: 7002-65-5.mol

Synonyms:(Carboxymethyl)(2-hydroxyethyl)dimethylammoniumhydroxide, inner salt (7CI); Ammonium, (carboxymethyl)(2-hydroxyethyl)dimethyl-,hydroxide, inner salt (8CI); Glycine, (2-hydroxyethyl)dimethylbetaine (6CI);(Carboxymethyl)dimethyl(2-hydroxyethyl)ammonium hydroxide inner salt; Deanolbetaine; Dimethyl(carboxymethyl)(2-hydroxyethyl)ammonium hydroxide inner salt;Oxibetaine; Steatrope; Upotrope

Chemical Property of Oxibetaine

Chemical Property:

• Melting Point: 157-158 °C(Solv: ethanol (64-17-5))
• PSA: 60.36000
• LogP: -2.19500

Purity/Quality:

98% ^*data from raw suppliers

2-[(2-HYDROXYETHYL)DIMETHYLAZANIUMYL]ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Oxibetaine

There total 3 articles about Oxibetaine 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: 88.0%

2-(N,N-dimethylamino)ethanol (108-01-0) + ethyl bromoacetate (105-36-2) → 2-(N,N-di-methyl-N-2-hydroxyethylammonio)acetate (7002-65-5)

Guidance literature:

2-(N,N-dimethylamino)ethanol; ethyl bromoacetate; In ethyl acetate; at 20 ℃; for 96h;

With water; In methanol;

DOI:10.1016/j.tet.2014.06.028

Reference yield: 87.5%

2-(N,N-dimethylamino)ethanol (108-01-0) + chloroacetic acid (79-11-8) → 2-(N,N-di-methyl-N-2-hydroxyethylammonio)acetate (7002-65-5)

Guidance literature:

With ethanol; sodium; In ethanol; for 13h; Heating;

Reference yield: 84.5%

4,4-dimethyl-2-oxomorpholinium chloride (3053-29-0) → 2-(N,N-di-methyl-N-2-hydroxyethylammonio)acetate (7002-65-5)

Guidance literature:

With water; silver(l) oxide; Heating;

upstream raw materials:

4,4-dimethyl-2-oxomorpholinium chloride

2-(N,N-dimethylamino)ethanol

chloroacetic acid

ethyl bromoacetate

Downstream raw materials:

4,4-dimethyl-2-oxomorpholinium chloride

Refernces

• 1、 Nakagawa, Yuichi,Sehata, Shiro,Fujii, Satoshi,Yamamoto, Hiroaki,Tsuda, Akihiko,Koumoto, Kazuya. "Mechanistic study on the facilitation of enzymatic hydrolysis by α-glucosidase in the presence of betaine-type metabolite analogs". . p. 5895 - 5903. Retrieved 2015/03/30.