3-(Diethoxyphosphinyl)propanal

Base Information

• Chemical Name: 3-(Diethoxyphosphinyl)propanal
• CAS No.: 3986-95-6
• Molecular Formula: C7H15O4P
• Molecular Weight: 194.167
• ChEMBL ID: CHEMBL316980
• DSSTox Substance ID: DTXSID20473499
• Nikkaji Number: J1.679.436H
• Wikidata: Q82302931
• Mol file: 3986-95-6.mol

Synonyms:3-diethoxyphosphorylpropanal;3986-95-6;3-(Diethoxyphosphinyl)propanal;diethyl (3-oxopropyl)phosphonate;CHEMBL316980;diethyl(3-oxopropyl)phosphonate;DIETHYL 3-OXOPROPYLPHOSPHONATE;SCHEMBL2382808;3-diethylphosphonopropionaldehyde;diethyl 3-oxo-propane phosphonate;DTXSID20473499;FUBLLKKWKHVTTK-UHFFFAOYSA-N;BDBM50366982;EN300-225183

Chemical Property of 3-(Diethoxyphosphinyl)propanal

Chemical Property:

• PSA: 62.41000
• LogP: 1.84150
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 194.07079595
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

95% ^*data from raw suppliers

diethyl(3-oxopropyl)phosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CCC=O)OCC

Technology Process of 3-(Diethoxyphosphinyl)propanal

There total 10 articles about 3-(Diethoxyphosphinyl)propanal 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%

diethyl 3,3-diethoxypropylphosphonate (15110-17-5) → diethyl (3-oxopropyl)phosphonate (3986-95-6)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1039/c3md00085k

Reference yield: 85.0%

[2-(1,3-dioxolan-2-yl)ethyl]phosphonic acid diethyl ester (17053-10-0) → diethyl (3-oxopropyl)phosphonate (3986-95-6)

Guidance literature:

With dowex 50Wx₈; water; for 24h; Ambient temperature;

Reference yield: 70.0%

diethyl 3,3-diethoxypropylphosphonate (15110-17-5) → diethyl (3-oxopropyl)phosphonate (3986-95-6)

Guidance literature:

for 3h; Heating;

DOI:10.1016/S0040-4020(01)92454-8

upstream raw materials:

(3-ethoxy-allyl)-phosphonic acid diethyl ester

diethyl 3,3-diethoxypropylphosphonate

Diethyl allylphosphonate

[2-(1,3-dioxolan-2-yl)ethyl]phosphonic acid diethyl ester

Downstream raw materials:

diethyl 3-(N,N-dimethylamino)propylphosphonate

diethyl 3-aminopropan-1-ylphosphonate

diethyl 3-hydroxy-3(1-trityl-1,2,4-triazol-5-yl)propane phosphonate

(3-benzyloxycarbonylamino-hexa-4,5-dienyl)-phosphonic acid diethyl ester