Triphenylphosphine-3,3',3''-trisulfonic Acid Trisodium Salt

• CAS: 63995-70-0
• Catalog Number: ACM63995700
• Category: Organic Phosphine Compounds
• Molecular Weight: 568.408g/mol
• Molecular Formula: C18H12Na3O9PS3
• Synonyms: Trisodium 3,3',3''-Phosphinetriyltribenzenesulfonate; Triphenylphosphine-3,3',3''-trisulfonic acid trisodium salt, >=95.0%; Triphenylphosphine-3,3 ,3 -trisulfonic acid trisodium salt; BCP20106; I06-1918; AX8155820; Trisodium 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; Sodium 3,3',3''-phosphinetriyltribenzenesulfonate; 3,3',3''-phoshinidynetris(benzenesulfonic acid)trisodium salt; AB0051283
• IUPAC Name: trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate
• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C18H15O9PS3.3Na/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3
• InChI Key: MYAJTCUQMQREFZ-UHFFFAOYSA-K
• Complexity: 768
• Covalently-Bonded Unit Count: 4
• EC Number: 264-596-6
• Exact Mass: 567.907g/mol
• H-Bond Acceptor: 9
• Heavy Atom Count: 34
• Monoisotopic Mass: 567.907g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 197A^2

Synthetic Use

Upstream Synthesis Route 1

• 603-35-0

• 63995-70-0

Reference: [1] Patent: US2016/46549, 2016, A1, . Location in patent: Paragraph 0213-0215

Upstream Synthesis Route 2

• 603-35-0

• 63995-70-0

Reference: [1] Organic Process Research and Development, 1998, vol. 2, # 5, p. 325 - 331
[2] Monatshefte fur Chemie, 1996, vol. 127, # 5, p. 469 - 473

Upstream Synthesis Route 3

• 135265-27-9

• 63995-70-0

Reference: [1] Synthetic Communications, 1991, vol. 21, # 4, p. 495 - 503