Betainealdehyde Diethylacetal Iodide

Base Information

• Chemical Name: Betainealdehyde Diethylacetal Iodide
• CAS No.: 6711-89-3
• Molecular Formula: C₉H₂₂NO₂*I
• Molecular Weight: 303.184
• NSC Number: 97065
• DSSTox Substance ID: DTXSID80424104
• Mol file: 6711-89-3.mol

Synonyms:Betainealdehyde Diethylacetal Iodide;6711-89-3;2,2-diethoxyethyl(trimethyl)azanium;iodide;SCHEMBL1462320;DTXSID80424104;NSC97065;NSC-97065;AKOS030240419;2,2-diethoxyethyltrimethylammonium iodide;FT-0663078;F70682

Chemical Property of Betainealdehyde Diethylacetal Iodide

Chemical Property:

• Melting Point: 120-122°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 18.46000
• Density: g/cm³
• LogP: -1.90430
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• Solubility.: Water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 303.06953
• Heavy Atom Count: 13
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

Betainealdehyde diethylacetal iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C[N+](C)(C)C)OCC.[I-]

Technology Process of Betainealdehyde Diethylacetal Iodide

There total 3 articles about Betainealdehyde Diethylacetal Iodide 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: 94.0%

dimethylaminoacetaldehyde diethyl acetal (3616-56-6) + methyl iodide (74-88-4) → 2,2-diethoxy-N,N,N-trimethylethanaminium iodide (6711-89-3)

Guidance literature:

In diethyl ether; at 20 ℃; for 24h;

DOI:10.1002/chem.201805051

Reference yield:

Bromoacetaldehyde diethyl acetal (2032-35-1) → 2,2-diethoxy-N,N,N-trimethylethanaminium iodide (6711-89-3)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / 160 °C

With benzene;

Reference yield:

2,2-diethoxy-ethanamine (645-36-3) + methyl iodide (74-88-4) → 2,2-diethoxy-N,N,N-trimethylethanaminium iodide (6711-89-3)

Guidance literature:

upstream raw materials:

2,2-diethoxy-ethanamine

methyl iodide

dimethylaminoacetaldehyde diethyl acetal

Bromoacetaldehyde diethyl acetal

Downstream raw materials:

2-(hydroxyimino)-N,N,N-trimethylethanaminium iodide

betainium iodide

Refernces

• 1、 Allouche-Arnon, Hyla,Gamliel, Ayelet,Sosna, Jacob,Gomori, J. Moshe,Katz-Brull, Rachel. "In vitro visualization of betaine aldehyde synthesis and oxidation using hyperpolarized magnetic resonance spectroscopy". supporting information. p. 7076 - 7078. Retrieved 2013/09/02.