Diphenylammonium Trifluoromethanesulfonate

• CAS: 164411-06-7
• Catalog Number: ACM164411067
• Category: Other Products
• Molecular Weight: 319.298g/mol
• Molecular Formula: C13H12F3NO3S
• Synonyms: D3683; CTK8H1751; I14-90664; DiphenylammoniumTrifluoromethanesulfonate; DPAT Diphenylammonium Trifluoromethanesulfonate; AKOS015853059; FT-0705309; Diphenylammonium Triflate, 97%; diphenylammonium triflate; 164411-06-7
• IUPAC Name: diphenylazanium;trifluoromethanesulfonate
• Canonical SMILES: C1=CC=C(C=C1)[NH2+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]
• InChI: InChI=1S/C12H11N.CHF3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10,13H;(H,5,6,7)
• InChI Key: MGEGQAUINMTPGX-UHFFFAOYSA-N
• Storage: 2-8°C
• Complexity: 261
• Covalently-Bonded Unit Count: 2
• Exact Mass: 319.049g/mol
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• Heavy Atom Count: 21
• Monoisotopic Mass: 319.049g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 82.2A^2

Synthetic Use

Upstream Synthesis Route 1

• 1493-13-6
• 122-39-4

• 164411-06-7

Reference: [1]Vicente, Jose; Chicote, Maria-Teresa; Guerrero, Rita; Jones, Peter G.
[Journal of the Chemical Society, Dalton Transactions, 1995, # 8, p. 1251 - 1254]
[2]Hsu, Mei-Yuan; Lam, Sarah; Lin, Mei-Huei; Lin, Su-Ching; Wang, Cheng-Chung; Wu, Chia-Hui
[Molecules, 2020, vol. 25, # 5]