1-Fluoro-2,4,6-trimethylpyridinium triflate

• CAS: 107264-00-6
• Catalog Number: ACM107264006
• Category: Other Products
• Molecular Weight: 289.245g/mol
• Molecular Formula: C9H11F4NO3S
• Synonyms: 1-fluoro-2,4,6-trimethylpyridin-1-ium; KS-00000WVF; SBB002990; Pyridinium, 1-fluoro-2,4,6-trimethyl-, 1,1,1-trifluoromethanesulfonate (1:1); C-53729; 1-Fluoro-2,4,6-trimethylpyridiniumtriflate; 1-Fluoro-2,4,6-trimethylpyridinium triflate; CTK0H7185; 107264-00-6; RTR-001415
• IUPAC Name: 1-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate
• Canonical SMILES: CC1=CC(=[N+](C(=C1)C)F)C.C(F)(F)(F)S(=O)(=O)[O-]
• InChI: InChI=1S/C8H11FN.CHF3O3S/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)/q+1;/p-1
• InChI Key: PRIGFEJKMMRJSF-UHFFFAOYSA-M
• Application: N-fluoropyridinium triflate salts offer a tunable fluorinating system; electronic nature of the substituents on the ring dictates the potency and selectivity of the reagent. Efficient fluorination of various aromatics, carbanions, vinyl esters, alkyls, and enamines.
• Storage: 0-6°C
• Complexity: 249
• Covalently-Bonded Unit Count: 2
• Exact Mass: 289.04g/mol
• H-Bond Acceptor: 7
• Heavy Atom Count: 18
• Monoisotopic Mass: 289.04g/mol
• Topological Polar Surface Area: 69.5A^2

Custom Q&A

What is the molecular formula of 1-Fluoro-2,4,6-trimethylpyridinium triflate?

The molecular formula is C9H11F4NO3S.

What is the molecular weight of 1-Fluoro-2,4,6-trimethylpyridinium triflate?

The molecular weight is 289.25 g/mol.

What are some synonyms for 1-Fluoro-2,4,6-trimethylpyridinium triflate?

Some synonyms include 1-Fluoro-2,4,6-trimethylpyridin-1-ium trifluoromethanesulfonate and N-Fluoro-2,4,6-trimethylpyridinium triflate.

When was 1-Fluoro-2,4,6-trimethylpyridinium triflate first created?

It was created on July 19, 2005.

What are the component compounds of 1-Fluoro-2,4,6-trimethylpyridinium triflate?

The component compounds are Trifluoromethanesulfonic acid (CID 62406) and 1-Fluoro-2,4,6-trimethylpyridin-1-ium (CID 676391).

What is the Canonical SMILES representation of 1-Fluoro-2,4,6-trimethylpyridinium triflate?

The Canonical SMILES is CC1=CC(=[N+](C(=C1)C)F)C.C(F)(F)(F)S(=O)(=O)[O-].

What is the InChIKey of 1-Fluoro-2,4,6-trimethylpyridinium triflate?

The InChIKey is PRIGFEJKMMRJSF-UHFFFAOYSA-M.

How many hydrogen bond acceptor counts does 1-Fluoro-2,4,6-trimethylpyridinium triflate have?

It has 7 hydrogen bond acceptor counts.

What is the topological polar surface area of 1-Fluoro-2,4,6-trimethylpyridinium triflate?

The topological polar surface area is 69.5 Å^2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 108-75-8
• 33454-82-9

• 107264-00-6

Reference: [1] Tetrahedron, 1993, vol. 49, # 11, p. 2151 - 2158

Upstream Synthesis Route 2

• 108-75-8
• 2926-30-9

• 107264-00-6
• 135182-78-4

Reference: [1] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 4, p. 1081 - 1092

Upstream Synthesis Route 3

• 108-75-8
• 2926-29-6

• 107264-00-6

Reference: [1] Tetrahedron Letters, 1986, vol. 27, # 28, p. 3271 - 3274

Upstream Synthesis Route 4

• 108-75-8
• 2926-27-4

• 107264-00-6
• 135182-78-4

Reference: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 1081 - 1092

Upstream Synthesis Route 5

• 108-75-8
• 2926-30-9

• 107264-00-6
• 135182-78-4

Reference: [1]Bulletin of the Chemical Society of Japan,1991,vol. 64,p. 1081 - 1092

Upstream Synthesis Route 6

• 108-75-8
• 33454-82-9

• 107264-00-6

Reference: [1]Tetrahedron,1993,vol. 49,p. 2151 - 2158