[2-(diphenylphosphanyl)ethyl]diphenylphosphane; diiodocobalt

• ChemBase ID: 141091
• Molecular Formular: C26H24CoI2P2
• Molecular Mass: 711.158422
• Monoisotopic Mass: 710.87746503
• SMILES: c1ccc(cc1)P(CCP(c1ccccc1)c1ccccc1)c1ccccc1.[Co](I)I
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)CCP(c1ccccc1)c1ccccc1.I[Co]I
• InChI: InChI=1S/C26H24P2.Co.2HI/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h1-20H,21-22H2;;2*1H/q;+2;;/p-2
• InChIKey: FLTZQBPRANWICZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diphenylphosphanyl)ethyl]diphenylphosphane; diiodocobalt
• IUPAC Traditional name: diiodocobalt; diphos
• Synonyms: [1,2-Ethanediylbis[diphenylphosphine-Κ, P]]diiodo-cobalt; Diiodo(bis(diphenylphosphino)ethane)cobalt(II); [1,2-乙烷二基双[二苯基膦-Κ, P]]二碘-钴; 二碘(双(二苯基膦)乙烷)钴(II)

Database IDs

• CAS Number: 34775-39-8
• MDL Number: MFCD11045354
• PubChem SID: 162235326
• PubChem CID: 11158354

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8128
• LogD (pH = 7.4): 6.8128
• Log P: 6.8128
• Molar Refractivity: 121.8328 cm^3
• Polarizability: 48.36459 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300 °C

Product Information

• Linear Formula: CoI2(P(C6H5)2C2H4P(C6H5)2)

DETAILS

Sigma Aldrich - 685631

Application
Catalyst for the mild coupling of thiols with aryl and heteroaryl iodides to give sulfides.4
Catalyzes the cyclization of 2-iodobenzoates with aldehydes to give phthalides (isobenzofuranones).2
Catalyst for:
• Reductive coupling reactions1
• Cyclization reactions2
• Reductive [3 + 2] cycloaddition reactions3
• Aryl-sulfur bond formation4
• Dimerization reactions5
Packaging
1 g in glass bottle
250 mg in glass bottle