1,4-Bis(diphenylphosphino)butane monooxide

• CAS: 85686-00-6
• Catalog Number: ACM85686006
• Category: Other Products
• Molecular Weight: 442.479g/mol
• Molecular Formula: C28H28OP2
• Synonyms: 4-(Diphenylphosphino)butyldiphenylphosphine oxide; 4-diphenylphosphorylbutyl(diphenyl)phosphane; 1,4-Bis(diphenylphosphino)butane monooxide; MCULE-9302167416; AKOS015915775; [4-(Diphenyl phosphino)butyl]diphenyl phosphine oxide; [4-(Diphenylphosphanyl)butyl](oxo)diphenyl-lambda~5~-phosphane; OGJJWCHXAGSHLL-UHFFFAOYSA-N; Phosphine oxide, [4-(diphenylphosphino)butyl]diphenyl-; 85686-00-6
• IUPAC Name: 4-diphenylphosphorylbutyl(diphenyl)phosphane
• Canonical SMILES: C1=CC=C(C=C1)P(CCCCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
• InChI: InChI=1S/C28H28OP2/c29-31(27-19-9-3-10-20-27,28-21-11-4-12-22-28)24-14-13-23-30(25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-12,15-22H,13-14,23-24H2
• InChI Key: OGJJWCHXAGSHLL-UHFFFAOYSA-N
• Complexity: 497
• Covalently-Bonded Unit Count: 1
• Exact Mass: 442.162g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 31
• Monoisotopic Mass: 442.162g/mol
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 17.1A^2

Synthetic Use

Upstream Synthesis Route 1

• 7688-25-7

• 85686-00-6

Reference: [1]Grushin, Vladimir V. [Journal of the American Chemical Society, 1999, vol. 121, # 24, p. 5831 - 5832]

Upstream Synthesis Route 2

• 4151-27-3

• 85686-00-6

Reference: [1]Location in patent: experimental part Petersson, Maria J.; Loughlin, Wendy A.; Jenkins, Ian D. [Chemical Communications, 2008, # 37, p. 4493 - 4494]

Upstream Synthesis Route 3

• 2668213-37-2
• 7688-25-7

• 2891877-90-8
• 85686-00-6
• 4151-27-3

Reference: [1]Cao, Li-Ya, et al. [Angewandte Chemie - International Edition, 2021, vol. 60, # 28, p. 15254 - 15259][Angew. Chem., 2021, vol. 133, # 28, p. 15382 - 15387]