[bis(tert-butoxy)phosphanyl]diethylamine

• ChemBase ID: 145755
• Molecular Formular: C12H28NO2P
• Molecular Mass: 249.329981
• Monoisotopic Mass: 249.18576577
• SMILES: CCN(CC)P(OC(C)(C)C)OC(C)(C)C
• Canonical SMILES: CCN(P(OC(C)(C)C)OC(C)(C)C)CC
• InChI: InChI=1S/C12H28NO2P/c1-9-13(10-2)16(14-11(3,4)5)15-12(6,7)8/h9-10H2,1-8H3
• InChIKey: KUKSUQKELVOKBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(tert-butoxy)phosphanyl]diethylamine
• IUPAC Traditional name: [bis(tert-butoxy)phosphanyl]diethylamine
• Synonyms: Di-tert-butyl N,N-diethylphosphoramidite; N,N-Diethyl-phosphoramidous Acid Bis(1,1-dimethylethyl) Ester; Di-tert-butyl N,N-Diethylphosphoramidite; Di-t-butyl N,N-Diethylphosphoramidite; N,N-二乙基亚磷酰胺二叔丁酯

Database IDs

• CAS Number: 117924-33-1
• MDL Number: MFCD00134307
• Beilstein Number: 4175262
• PubChem SID: 24862597; 162239957
• PubChem CID: 4251849

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.25810072
• LogD (pH = 7.4): 1.8634828
• Log P: 2.855
• Molar Refractivity: 71.9316 cm^3
• Polarizability: 28.460354 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Clear Colourless Liquid
• Boiling Point: 123.5-126.5°C / Oil Pump; 39-41 °C/0.3 mmHg(lit.)
• Flash Point: 172.4 °F; 78 °C
• Density: 0.896 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.434; n20/D 1.434(lit.)

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (GC); 93%
• Grade: technical; technical grade
• Linear Formula: (C2H5)2NP[OC(CH3)3]2

DETAILS

Sigma Aldrich - 365963

Packaging
1, 5 g in glass bottle

Toronto Research Chemicals - D429300

A useful reagent for the efficient phosphorylative conversion of alcohols into their corresponding dibenzylphosphorotriesters.

REFERENCES

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