1-Diethoxyphosphorylethanamine

Base Information

• Chemical Name: 1-Diethoxyphosphorylethanamine
• CAS No.: 54788-35-1
• Molecular Formula: C6H16NO3P
• Molecular Weight: 181.172
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID00408805
• Nikkaji Number: J89.900C
• Mol file: 54788-35-1.mol

Synonyms:1-diethoxyphosphorylethanamine;54788-35-1;diethyl (1-aminoethyl)phosphonate;Phosphonic acid, (1-aminoethyl)-, diethyl ester;1-Aminoethylphosphonic acid diethyl;diethyl aminoethyl phosphonate;SCHEMBL3175484;SQAAQHWGIOAIST-UHFFFAOYSA-;DTXSID00408805;SQAAQHWGIOAIST-UHFFFAOYSA-N;diethyl alpha-aminoethyl-phosphonate;AKOS005177331;1-aminoethanephosphonic acid diethyl ester;InChI=1/C6H16NO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5,7H2,1-3H3

Chemical Property of 1-Diethoxyphosphorylethanamine

Chemical Property:

• PSA: 71.36000
• LogP: 2.25750
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 181.08678037
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(C)N)OCC
• Uses: Diethyl (1-Aminoethyl)phosphonate is an useful regent in the preparation of heterocyclic phosphopeptides, in the study of the activity of Candida antarctica lipase B and more recently as a component in the preparation of self-adhesive labels.

Technology Process of 1-Diethoxyphosphorylethanamine

There total 24 articles about 1-Diethoxyphosphorylethanamine 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: 97.0%

diethyl (1-(2,2,2-trifluoro-acetamido)ethyl)phosphonate (66788-53-2) → diethyl 1-aminoethylphosphonate (54788-35-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 5h; Reflux;

DOI:10.3390/molecules25071557

Reference yield: 96.0%

Diethyl N-benzyloxycarbonyl-1-aminoethylphosphonate (54788-34-0) → diethyl 1-aminoethylphosphonate (54788-35-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/S0040-4020(01)86836-8

Reference yield: 95.0%

(1-nitroethyl)-phosphonic acid diethyl ester (60593-26-2) → diethyl 1-aminoethylphosphonate (54788-35-1)

Guidance literature:

With lithium borohydride; chloro-trimethyl-silane; In tetrahydrofuran; at 20 ℃;

DOI:10.1080/10426509608046403

upstream raw materials:

acetaldehyde

phosphonic acid diethyl ester

N-benzyloxycarbonyl-α-aminoethylphosphonic acid

orthoformic acid triethyl ester

Downstream raw materials:

1-aminoethanephosphonic acid

diethyl N-benzyloxycarbonyl-D-alanyl-1-aminoethylphosphonate

3-(diethoxyphosphinoyl)-1-phenyl-2-azabut-1-ene

diethyl N-(N-carbobenzyloxy-DL-alanyl)-1-aminoethylphosphonate