Arsenobetaine

Base Information

• Chemical Name: Arsenobetaine
• CAS No.: 64436-13-1
• Molecular Formula: C5H11AsO2
• Molecular Weight: 178.063
• Hs Code.: 2931900090
• European Community (EC) Number: 634-697-3
• UNII: UWC1LS4V3I
• DSSTox Substance ID: DTXSID0052833
• Wikipedia: Arsenobetaine
• Wikidata: Q704769
• Metabolomics Workbench ID: 129379
• ChEMBL ID: CHEMBL2448348
• Mol file: 64436-13-1.mol

Synonyms:arsenobetaine

Chemical Property of Arsenobetaine

Chemical Property:

• PSA: 40.13000
• LogP: 0.07450
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.997499
• Heavy Atom Count: 8
• Complexity: 87.6

Purity/Quality:

98%Min ^*data from raw suppliers

Arsenobetaine purum p.a., ≥95.0% (NMR) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 23/25-50/53
• Safety Statements: 20/21-28-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[As+](C)(C)CC(=O)[O-]
• Uses: Arsenobetaine has been used to investigate the biochemical response of mice (Mus musculus) to inorganic arsenic exposure using liver as the target organ.

Technology Process of Arsenobetaine

There total 3 articles about Arsenobetaine 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: 99.0%

trimethylarsine oxide (4964-14-1) + Iodoacetic acid (64-69-7) → arsenobetaine (64436-13-1)

Guidance literature:

With GLUTATHIONE; at 37 ℃; for 2h; aq. buffer;

DOI:10.1039/b808937j

Reference yield:

methylcobalamin + Dimethylarsinic acid (75-60-5) + Iodoacetic acid (64-69-7) → arsenobetaine (64436-13-1) + 2-dimethylarsinyl acetic acid

Guidance literature:

With GLUTATHIONE; In water; at 37 ℃; for 94h; pH=7.6; Product distribution / selectivity; Tris-HCl buffer solution;

Reference yield:

ethoxycarbonylmethyl(trimethyl)arsonium bromide (64436-12-0) → arsenobetaine (64436-13-1)

Guidance literature:

With ion-exchange resin - form>; In water;

DOI:10.1016/S0040-4039(01)93098-9

upstream raw materials:

ethoxycarbonylmethyl(trimethyl)arsonium bromide

Dimethylarsinic acid

Iodoacetic acid

trimethylarsine oxide