Betaine aldehyde chloride

Base Information

• Chemical Name: Betaine aldehyde chloride
• CAS No.: 7758-31-8
• Molecular Formula: C5H12 N O . Cl
• Molecular Weight: 137.609
• Hs Code.: 2923900090
• UNII: 4QNX5TUR2Z
• DSSTox Substance ID: DTXSID10370761
• ChEMBL ID: CHEMBL1256576
• Mol file: 7758-31-8.mol

Synonyms:Betaine aldehyde chloride;7758-31-8;N,N,N-Trimethyl-2-oxoethanaminium chloride;trimethyl(2-oxoethyl)azanium chloride;trimethyl(2-oxoethyl)azanium;chloride;(2-Oxoethyl)trimethylammonium chloride;N,N,N-Trimethyl-2-oxoethan-1-aminium chloride;4QNX5TUR2Z;(Formylmethyl)trimethylammonium chloride;Ammonium, (formylmethyl)trimethyl-, chloride;Ethanaminium, N,N,N-trimethyl-2-oxo-, chloride (1:1);UNII-4QNX5TUR2Z;EU-0100182;MLS002153203;SCHEMBL116970;CHEMBL1256576;DTXSID10370761;CHEBI:189425;REGID_for_CID_2735510;HMS2230C14;HMS3260F05;HMS3373H22;Tox21_500182;MFCD00063509;CCG-221486;CS-W016515;LP00182;(formylmethyl)-trimethylammonium chloride;NCGC00093661-01;NCGC00260867-01;SMR000326966;FT-0622916;B 3650;C77425;EN300-216413;SR-01000075715;Ethanaminium,N,N,N-trimethyl-2-oxo-,chloride(1:1);SR-01000075715-1

Chemical Property of Betaine aldehyde chloride

Chemical Property:

• Melting Point: 139-141oC
• PSA: 17.07000
• LogP: -3.10450
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.0607417
• Heavy Atom Count: 8
• Complexity: 63

Purity/Quality:

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

Betaine aldehyde chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CC=O.[Cl-]
• Uses: Intermediate in the enzymatic oxidation of choline to betaine

Technology Process of Betaine aldehyde chloride

There total 7 articles about Betaine aldehyde 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:

choline chloride (67-48-1) → betaine aldehyde chloride (7758-31-8)

Guidance literature:

bei der Oxydation durch Rattenleber-Praeparate;

Reference yield:

trimethylallylammonium chloride (1516-27-4) → betaine aldehyde chloride (7758-31-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ozone; rose bengal; water / methanol / -78 °C

1.2: 20 °C

2.1: water-d2

With water; rose bengal; ozone; In methanol; water-d2;

DOI:10.1002/jlcr.3082

Reference yield:

→ betaine aldehyde chloride (7758-31-8)

Guidance literature:

With hydrogenchloride; unter vermindertem Druck;

upstream raw materials:

choline chloride

dimethylamino-acetaldehyde diethylacetal methohydroxide

trimethylallylammonium chloride

Downstream raw materials:

[2-(2,4-dinitro-phenylhydrazono)-ethyl]-trimethyl-ammonium; picrate

betaine

trimethylamine

Refernces

• 1、 Enokibara, Shogo. "Purification and characterization of an alkaliphilic choline oxidase of fusarium oxysporum". . p. 2219 - 2224. Retrieved 2013/02/25.