Tetraethyl(3-hydroxypropylidene)bisphosphonate

Base Information

• Chemical Name: Tetraethyl(3-hydroxypropylidene)bisphosphonate
• CAS No.: 151671-10-2
• Molecular Formula: C11H26 O7 P2
• Molecular Weight: 332.271
• European Community (EC) Number: 816-618-6
• Mol file: 151671-10-2.mol

Synonyms:151671-10-2;TETRAETHYL(3-HYDROXYPROPYLIDENE)BISPHOSPHONATE;TETRAETHYL (3-HYDROXYPROPYLIDENE)BISPHOSPHONATE;3,3-bis(diethoxyphosphoryl)propan-1-ol;SCHEMBL9063345;3,3-bis(Diethoxyphosphoryl)propan-1-ol (30% w/w in toluene);MFCD02684020;AKOS017343432;tetraethyl 3-hydroxypropane-1,1-diyldiphosphonate

Chemical Property of Tetraethyl(3-hydroxypropylidene)bisphosphonate

Chemical Property:

• Boiling Point: 447.7±40.0 °C(Predicted)
• PKA: 14.63±0.10(Predicted)
• PSA: 110.91000
• Density: 1.179±0.06 g/cm3(Predicted)
• LogP: 3.22710
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 332.11537716
• Heavy Atom Count: 20
• Complexity: 298

Purity/Quality:

97% ^*data from raw suppliers

TETRAETHYL(3-HYDROXYPROPYLIDENE)BISPHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(CCO)P(=O)(OCC)OCC)OCC

Technology Process of Tetraethyl(3-hydroxypropylidene)bisphosphonate

There total 3 articles about Tetraethyl(3-hydroxypropylidene)bisphosphonate 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: 100.0%

[1-(diethoxy-phosphoryl)-3-(tetrahydro-pyran-2-yloxy)-propyl]-phosphonic acid diethyl ester (151671-09-9) → tetraethyl 3-hydroxypropyl-1,1-bisphosphonate (151671-10-2)

Guidance literature:

With methanol; Amberlyst H₁₅; at 45 ℃; for 1h;

DOI:10.1080/10426509808036988

Reference yield: 77.0%

→ tetraethyl 3-hydroxypropyl-1,1-bisphosphonate (151671-10-2)

Guidance literature:

Reference yield:

C17H40O7P2Si → tetraethyl 3-hydroxypropyl-1,1-bisphosphonate (151671-10-2)

Guidance literature:

With tetrabutyl ammonium fluoride;

upstream raw materials:

[1-(diethoxy-phosphoryl)-3-(tetrahydro-pyran-2-yloxy)-propyl]-phosphonic acid diethyl ester

Downstream raw materials:

Tetraethyl 3-p-toluenesulfonyloxypropyl-1.1-bisphosphonate

tetraethyl 3-aminopropylidene-1,1-bisphosphonate