433-06-7 | 2,2,2-Trifluoroethyl tosylate

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$10.00	$7.00
25g	95%	in stock	$22.00	$15.00
100g	95%	in stock	$60.00	$42.00
1kg	95%	in stock	$490.00	$343.00

Description

• Catalog Number: AB54127
• Chemical Name: 2,2,2-Trifluoroethyl tosylate
• CAS Number: 433-06-7
• Molecular Formula: C9H9F3O3S
• Molecular Weight: 254.22616960000002
• MDL Number: MFCD00000443
• SMILES: FC(COS(=O)(=O)c1ccc(cc1)C)(F)F
• NSC Number: 77401

Computed Properties

• Complexity: 310
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• XLogP3: 2.6

Upstream Synthesis Route

The 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate is a versatile compound commonly used in chemical synthesis as a valuable reagent for introducing the trifluoroethyl group into various organic molecules. This compound serves as an important building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals due to its unique properties and reactivity. It is particularly useful for the modification of organic substrates to enhance their biological activity, metabolic stability, or physicochemical properties. The trifluoroethyl group can impart desirable characteristics such as increased lipophilicity, electron-withdrawing effects, and improved binding affinity, making it a valuable tool in medicinal chemistry and material science. By utilizing 2,2,2-Trifluoroethyl 4-methylbenzenesulfonate in chemical synthesis, researchers can access a wide range of fluorinated compounds with tailored properties for various applications in the pharmaceutical and chemical industries.

Literature

• 8-(2,2,2-Trifluoro-ethoxy)quinolinium perchlorate-8-(2,2,2-trifluoro-ethoxy)quinoline (1/1).

  Acta crystallographica. Section E, Structure reports online 20110501

• Radiosynthesis of the tumor hypoxia marker [18F]TFMISO via O-[18F]trifluoroethylation reveals a striking difference between trifluoroethyl tosylate and iodide in regiochemical reactivity toward oxygen nucleophiles.

  Bioorganic & medicinal chemistry 20110401

• 2,2,2-Trifluoro-ethyl 4-methyl-benzene-sulfonate.

  Acta crystallographica. Section E, Structure reports online 20101101

• Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.

  Organic letters 20090903