(2S,5S)-1-[2-(1,3-dioxolan-2-yl)phenyl]-2,5-diethylphospholane

• ChemBase ID: 140855
• Molecular Formular: C17H25O2P
• Molecular Mass: 292.352961
• Monoisotopic Mass: 292.15921667
• SMILES: CC[C@H]1CC[C@@H](P1c1ccccc1C1OCCO1)CC
• Canonical SMILES: CC[C@H]1CC[C@@H](P1c1ccccc1C1OCCO1)CC
• InChI: InChI=1S/C17H25O2P/c1-3-13-9-10-14(4-2)20(13)16-8-6-5-7-15(16)17-18-11-12-19-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3/t13-,14-/m0/s1
• InChIKey: UKBFKBMQNUOKTD-KBPBESRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5S)-1-[2-(1,3-dioxolan-2-yl)phenyl]-2,5-diethylphospholane
• IUPAC Traditional name: (2S,5S)-1-[2-(1,3-dioxolan-2-yl)phenyl]-2,5-diethylphospholane
• Synonyms: S,S-Et-RajPhos™; (2S,5S)-(-)-1-(2-(1,3-Dioxolan-2-yl)phenyl)-2,5-diethylphospholane; (2S,5S)-(-)-1-(2-(1,3-二氧戊环-2-基)苯基)-2,5-二乙基磷杂环戊烷

Database IDs

• CAS Number: 1314246-02-0
• PubChem SID: 162235093; 24885351
• PubChem CID: 16218309

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7386935
• LogD (pH = 7.4): 3.7845387
• Log P: 3.7852
• Molar Refractivity: 82.7751 cm^3
• Polarizability: 33.223553 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 230 °F
• Density: 1.0760 g/mL at 25 °C
• Refractive Index: n20/D 1.5581
• Optical Rotation: [α]22/D -36°, c = 1 in chloroform

Product Information

• Empirical Formula (Hill Notation): C17H25O2P

DETAILS

Sigma Aldrich - 677078

Packaging
100, 500 mg in glass bottle
Legal Information
Sold in collaboration with Kanata Chemical Technologies Inc. for research purposes only. These compounds were made and sold under license from E.I. du Pont de Nemours and Company, which license does not include the right to use the compounds in producing products for sale in the pharmaceutical field.
RajPhos is a trademark of Kanata Chemical Technologies, Inc.
Application
DuPhos and BPE Ligands: Highly Efficient Privileged Ligands