4-(Diphenylphosphino)benzoic acid

• CAS: 2129-31-9
• Catalog Number: ACM2129319
• Category: Other Products
• Molecular Weight: 306.29
• Molecular Formula: C₁₉H₁₅O₂P
• Synonyms: 4-(Diphenylphosphino)benzoic acid, 2129-31-9, Diphenyl(p-carboxyphenyl) phosphine, 4-Diphenylphosphanyl-benzoesaeure, AC1LCFDU, ACMC-209fit, 4-diphenylphosphanylbenzoic acid, 401595_ALDRICH, CHEMBL183094, CTK4E6371, 4-Diphenylphosphanyl-benzoic acid, p-(Diphenylphosphino)benzoic acid, (4-Carboxyphenyl)diphenylphosphine, ANW-24387, Benzoic acid,4-(diphenylphosphino)-, AKOS015840595, D3243, I14-58240
• IUPAC Name: 4-diphenylphosphanylbenzoic acid
• Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O
• InChI: InChI=1S/C19H15O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,20,21)
• InChI Key: GXMHDTPYKRTARV-UHFFFAOYSA-N
• Boiling Point: 448ºC at 760 mmHg
• Melting Point: 157-160ºC(lit.)
• Flash Point: 224.7ºC
• Complexity: 332
• Covalently-Bonded Unit Count: 1
• Exact Mass: 306.08100
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 22
• Monoisotopic Mass: 306.081g/mol
• Rotatable Bond Count: 4
• Safety Description: 26-37/39
• Topological Polar Surface Area: 37.3A^2

Synthetic Use

Upstream Synthesis Route 1

• 29786-93-4
• 734-59-8

• 2129-31-9

Reference: [1]Gilman; Brown
[Journal of the American Chemical Society, 1945, vol. 67, p. 824]

Upstream Synthesis Route 2

• 124-38-9
• 734-59-8

• 2129-31-9

Reference: [1]Russell, Matthew G.; Warren, Stuart
[Tetrahedron Letters, 1998, vol. 39, # 43, p. 7995 - 7998]
[2]Russell, Matthew G.; Warren, Stuart
[Journal of the Chemical Society. Perkin Transactions 1 (2001), 2000, # 4, p. 505 - 513]
[3]Ravindar; Hemling; Schumann; Blum
[Synthetic Communications, 1992, vol. 22, # 6, p. 841 - 851]

Downstream Synthesis Route 1

• 2916-68-9
• 2129-31-9

• 566190-45-2

Reference: [1]Yoakim, Christiane; Guse; O'Meara; Thavonekham
[Synlett, 2003, # 4, p. 473 - 476]
[2]Lebel, Helene; Paquet, Valerie
[Journal of the American Chemical Society, 2004, vol. 126, # 1, p. 320 - 328]

* For details of the synthesis route, please refer to the original source to ensure accuracy.