Tetraisopropyl difluoromethylenediphosphonate

Base Information

• Chemical Name: Tetraisopropyl difluoromethylenediphosphonate
• CAS No.: 78715-59-0
• Molecular Formula: C13H28F2O6P2
• Molecular Weight: 380.306
• DSSTox Substance ID: DTXSID40471119
• Nikkaji Number: J2.277.208B
• Wikidata: Q82299543
• Mol file: 78715-59-0.mol

Synonyms:78715-59-0;Tetraisopropyl Difluoromethylenebisphosphonate;tetraisopropyl difluoromethylenediphosphonate;2-[[di(propan-2-yloxy)phosphoryl-difluoromethyl]-propan-2-yloxyphosphoryl]oxypropane;Tetraisopropyl (difluoromethylene)bis(phosphonate);starbld0007824;SCHEMBL3437037;DTXSID40471119;AKOS030255261;FT-0675076;[(Diisopropoxy-phosphoryl)-difluoro-methyl]-phosphonic acid diisopropyl ester

Chemical Property of Tetraisopropyl difluoromethylenediphosphonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 376.34°C at 760 mmHg
• Flash Point: 181.404°C
• PSA: 90.68000
• Density: 1.155g/cm³
• LogP: 5.62290
• Solubility.: Ethyl Acetate, Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 380.13291893
• Heavy Atom Count: 23
• Complexity: 397

Purity/Quality:

98% ^*data from raw suppliers

Tetraisopropyl Difluoromethylenebisphosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OP(=O)(C(F)(F)P(=O)(OC(C)C)OC(C)C)OC(C)C

Technology Process of Tetraisopropyl difluoromethylenediphosphonate

There total 12 articles about Tetraisopropyl difluoromethylenediphosphonate 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%

Tetraisopropyl methylenediphosphonate (1660-95-3) → tetraisopropyl (difluoromethylene)bisphosphonate (78715-59-0)

Guidance literature:

Tetraisopropyl methylenediphosphonate; With sodium hexamethyldisilazane; In tetrahydrofuran; for 0.0333333h;

With N-fluorobis(benzenesulfon)imide; In tetrahydrofuran;

DOI:10.1021/ol0522889

Reference yield: 97.0%

diisopropyl (methylsulfanyl)difluoromethylphosphonate (327156-97-8) → diisopropyl difluoromethanephosphonate (681-80-1) + tetraisopropyl (difluoromethylene)bisphosphonate (78715-59-0)

Guidance literature:

diisopropyl (methylsulfanyl)difluoromethylphosphonate; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 0.0833333h;

With ammonium chloride; In tetrahydrofuran; pentane; for 1h; Further stages.;

DOI:10.1039/b301729j

Reference yield: 58.0%

Tetraisopropyl methylenediphosphonate (1660-95-3) → fluoromethylenebisphosphonic acid tetraisopropyl ester (78715-57-8) + tetraisopropyl (difluoromethylene)bisphosphonate (78715-59-0)

Guidance literature:

Tetraisopropyl methylenediphosphonate; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1.41667h;

With Selectfluor; In N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1021/jo0518598

upstream raw materials:

Tetraisopropyl methylenediphosphonate

Bromotrifluoromethane

sodium diisopropyl phosphite

dibromodifluoromethane

Downstream raw materials:

difluoromethylenebisphosphonic acid bis(tri-n-butylammonium) salt