{bis[(4-chlorophenyl)methoxy]phosphanyl}bis(propan-2-yl)amine

• ChemBase ID: 167043
• Molecular Formular: C20H26Cl2NO2P
• Molecular Mass: 414.305701
• Monoisotopic Mass: 413.10782107
• SMILES: P(N(C(C)C)C(C)C)(OCc1ccc(cc1)Cl)OCc1ccc(cc1)Cl
• Canonical SMILES: CC(N(P(OCc1ccc(cc1)Cl)OCc1ccc(cc1)Cl)C(C)C)C
• InChI: InChI=1S/C20H26Cl2NO2P/c1-15(2)23(16(3)4)26(24-13-17-5-9-19(21)10-6-17)25-14-18-7-11-20(22)12-8-18/h5-12,15-16H,13-14H2,1-4H3
• InChIKey: OCQXCPQSBNWTOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {bis[(4-chlorophenyl)methoxy]phosphanyl}bis(propan-2-yl)amine
• IUPAC Traditional name: {bis[(4-chlorophenyl)methoxy]phosphanyl}diisopropylamine
• Synonyms: Bis(1-methylethyl)phosphoramidous Acid Bis[(4-chlorophenyl)methyl] Ester; Di-p-chlorobenzyl N,N-Diisopropylphosphoramidite

Database IDs

• CAS Number: 128858-43-5
• PubChem SID: 162261176
• PubChem CID: 4096368

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6903033
• LogD (pH = 7.4): 5.318313
• Log P: 6.6028
• Molar Refractivity: 111.9928 cm^3
• Polarizability: 44.00234 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Hexane
• Apperance: White Low Melting Solid

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - D432500

A versatile phosphitylating agent for the phosphorylation of hydroxy amino acids and the preparation of protected phosphopeptides.

REFERENCES

• Liskamp, R.M.J., et al.: Recl. Trav. Chim. Pays-Bas, 109, 27 (1990)