benzyl dichlorophosphinite

• ChemBase ID: 161777
• Molecular Formular: C7H7Cl2OP
• Molecular Mass: 209.009641
• Monoisotopic Mass: 207.96115683
• SMILES: ClP(OCc1ccccc1)Cl
• Canonical SMILES: ClP(OCc1ccccc1)Cl
• InChI: InChI=1S/C7H7Cl2OP/c8-11(9)10-6-7-4-2-1-3-5-7/h1-5H,6H2
• InChIKey: GKXNKXXJQUBZGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl dichlorophosphinite
• IUPAC Traditional name: benzyl dichlorophosphinite
• Synonyms: Phosphorodichloridous Acid Phenylmethyl Ester; Benzyl Dichlorophosphite; BODP; Benzyloxydichlorophosphine

Database IDs

• CAS Number: 76101-29-6
• PubChem SID: 162255912
• PubChem CID: 3345674

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5681
• LogD (pH = 7.4): 3.5681
• Log P: 3.5681
• Molar Refractivity: 50.7681 cm^3
• Polarizability: 19.341347 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - B286290

A versatile reagent for phospholipid synthesis. Also, it was used for the synthesis of various artificial choline phospholipides. An intermediate of Miltefosine.

REFERENCES

• Seelig, J., et al.: Biochemistry, 19, 2215 (1980)
• Fahy, E., et al.: J. Lipid Res., 50, S9 (1980)
• Seifert, K., et al.: Antimicrob. Agents Chemother., 45, 1505 (1980)