(diethoxyphosphanyl)bis(propan-2-yl)amine

• ChemBase ID: 167335
• Molecular Formular: C10H24NO2P
• Molecular Mass: 221.276821
• Monoisotopic Mass: 221.15446564
• SMILES: CC(N(P(OCC)OCC)C(C)C)C
• Canonical SMILES: CCOP(N(C(C)C)C(C)C)OCC
• InChI: InChI=1S/C10H24NO2P/c1-7-12-14(13-8-2)11(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3
• InChIKey: UUFIBXKHKNIZHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diethoxyphosphanyl)bis(propan-2-yl)amine
• IUPAC Traditional name: (diethoxyphosphanyl)diisopropylamine
• Synonyms: N,N-Bis(1-methylethyl)phosphoramidous Acid Diethyl Ester; Diethoxy-N,N-diisopropylaminophosphine; Diethyl N,N-Diisopropylphosphoramidite

Database IDs

• CAS Number: 42053-26-9
• PubChem SID: 162261468
• PubChem CID: 4185604

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.30819365
• LogD (pH = 7.4): 1.2336656
• Log P: 2.6986
• Molar Refractivity: 62.6552 cm^3
• Polarizability: 24.778854 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ether
• Apperance: Colourless Oil Which May Be Hazy

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - D444250

A useful reagent for the efficient phosphorylative conversion of alcohols into their corresponding diethyl phosphorotriesters.d=1.028

REFERENCES

• Perich, J.W., et al.: Synthesis, 142 (1988)