Demanyl phosphate

Base Information

• Chemical Name: Demanyl phosphate
• CAS No.: 6909-62-2
• Molecular Formula: C₄H₁₂NO₄P
• Molecular Weight: 169.117
• Hs Code.: 2922199090
• UNII: R2680E432U
• DSSTox Substance ID: DTXSID00219130
• Nikkaji Number: J8.863C
• Wikidata: Q27114746
• Metabolomics Workbench ID: 54481
• ChEMBL ID: CHEMBL3109286
• Mol file: 6909-62-2.mol

Synonyms:2-dimethylaminoethyl phosphate

Chemical Property of Demanyl phosphate

Chemical Property:

• Vapor Pressure: 0.000586mmHg at 25°C
• Melting Point: 175-176°
• Boiling Point: 288.6°C at 760 mmHg
• Flash Point: 128.3°C
• PSA: 79.81000
• Density: 1.328g/cm³
• LogP: -0.34270
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 169.05039486
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99%, ^*data from raw suppliers

N,N-DimethylaminoethanolPhosphate(~70%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCOP(=O)(O)O
• Uses: N,N-Dimethylaminoethanol Phosphate is a metabolite of Dimethylaminoethanol, a precursor to the neurotransmitter acetylcholine.

Technology Process of Demanyl phosphate

There total 3 articles about Demanyl phosphate 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: 87.0%

C18H24NO4P (130256-78-9) → phosphodimethylethanolamine (6909-62-2)

Guidance literature:

With hydrogen; palladium(II) hydroxide; In methanol; for 1h;

DOI:10.1016/j.bmc.2013.12.006

Reference yield:

2-(N,N-dimethylamino)ethanol (108-01-0) → phosphodimethylethanolamine (6909-62-2)

Guidance literature:

With PPA; at 180 ℃; under 10 - 20 Torr;

DOI:10.1002/hlca.19580410426

Reference yield:

→ phosphodimethylethanolamine (6909-62-2)

Guidance literature:

(2-Hydroxyethyl)-dimethylamin, Polyphosphorsaeure (zuletzt bei 170grad/3.20 Torr; 30-40 h);

upstream raw materials:

2-(N,N-dimethylamino)ethanol

C₁₈H₂₄NO₄P

Refernces