[bis(tert-butoxy)phosphanyl]bis(propan-2-yl)amine

• ChemBase ID: 147937
• Molecular Formular: C14H32NO2P
• Molecular Mass: 277.383141
• Monoisotopic Mass: 277.2170659
• SMILES: CC(C)N(C(C)C)P(OC(C)(C)C)OC(C)(C)C
• Canonical SMILES: CC(N(P(OC(C)(C)C)OC(C)(C)C)C(C)C)C
• InChI: InChI=1S/C14H32NO2P/c1-11(2)15(12(3)4)18(16-13(5,6)7)17-14(8,9)10/h11-12H,1-10H3
• InChIKey: YGFLCNPXEPDANQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(tert-butoxy)phosphanyl]bis(propan-2-yl)amine
• IUPAC Traditional name: [bis(tert-butoxy)phosphanyl]diisopropylamine
• Synonyms: Di-tert-butyl N,N-diisopropylphosphoramidite; N,N-Bis(1-methylethyl)phosphoramidous Acid Bis(1,1-dimethylethyl)ester; Di-t-butyl N,N-Diisopropylphosphoramidite; N,N-二异丙基亚磷酰胺二叔丁酯

Database IDs

• CAS Number: 137348-86-8
• MDL Number: MFCD00153506
• Beilstein Number: 4858847
• PubChem SID: 24866105; 162242118
• PubChem CID: 853005

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.90141064
• LogD (pH = 7.4): 2.099316
• Log P: 3.6812
• Molar Refractivity: 80.7692 cm^3
• Polarizability: 32.14447 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: 74-76°C@1.5mmHg.; 85-90 °C/0.2 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.879 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.444(lit.)

Safety Information

• Storage Condition: Refrigerator
• 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: -20°C; 2-8°C

Product Information

• Purity: ~90% (GC/31P-NMR); 95%
• Grade: technical
• Shipped in: wet ice
• Linear Formula: [(CH3)2CH]2NP[OC(CH3)3]2

DETAILS

Sigma Aldrich - 419362

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 34687

Other Notes
Phosphitylating agent for synthesizing derivatives of O4-phospho-tyrosine1,2

Toronto Research Chemicals - D429400

A phosphinane derivative with immunomodulating activity.

REFERENCES

• Mandala, S., et al.: Science, 296, 346 (2002)