2-(Trimethylsilyl)Phenyltrifluoromethanesulfonate

• CAS: 88284-48-4
• Catalog Number: ACM88284484
• Category: Alkyl Silane
• Molecular Weight: 298.35 g/mol
• Molecular Formula: C10H13F3O3SSi
• Synonyms: (2-trimethylsilylphenyl) trifluoromethanesulfonate
• IUPAC Name: (2-trimethylsilylphenyl)trifluoromethanesulfonate
• Canonical SMILES: C[Si](C)(C)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F
• InChI Key: XBHPFCIWRHJDCP-UHFFFAOYSA-N
• Boiling Point: 70ºC2 mm Hg(lit.)
• Flash Point: 205 °F
• Density: 1.229 g/mL at 25ºC(lit.)
• Appearance: Transparent liquid
• Application: 2-(Trimethylsilyl)Phenyltrifluoromethanesulfonate serves as a versatile reagent crucial in the field of aryne chemistry due to its ability to generate ortho-benzyne under mild conditions specifically with simple fluoride treatment at room temperature This compound plays a significant role in facilitating reactions involving polycyclic arenes heteroatom arylation heteroarenes and benzannulated heterocycles as well as carbon arylations making it invaluable in various synthetic applications
• Exact Mass: 298.03100
• Hazard Statements: C: Corrosive
• Packaging: 10 g; 100 g
• Safety Description: 26-27-36/37/39-45

Custom Q&A

What is the molecular formula of 2-(Trimethylsilyl)phenyltrifluoromethanesulfonate?

The molecular formula is C10H13F3O3SSi.

What is the molecular weight of 2-(Trimethylsilyl)phenyltrifluoromethanesulfonate?

The molecular weight is 298.36 g/mol.

What is the IUPAC name of 2-(Trimethylsilyl)phenyltrifluoromethanesulfonate?

The IUPAC name is (2-trimethylsilylphenyl) trifluoromethanesulfonate.

What is the CAS number of 2-(Trimethylsilyl)phenyltrifluoromethanesulfonate?

The CAS number is 88284-48-4.

What is the InChI of 2-(Trimethylsilyl)phenyltrifluoromethanesulfonate?

The InChI is InChI=1S/C10H13F3O3SSi/c1-18(2,3)9-7-5-4-6-8(9)16-17(14,15)10(11,12)13/h4-7H,1-3H3.

What is the InChIKey of 2-(Trimethylsilyl)phenyltrifluoromethanesulfonate?

The InChIKey is XBHPFCIWRHJDCP-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2-(Trimethylsilyl)phenyltrifluoromethanesulfonate have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-(Trimethylsilyl)phenyltrifluoromethanesulfonate have?

It has 6 hydrogen bond acceptor counts.

How many rotatable bond counts does 2-(Trimethylsilyl)phenyltrifluoromethanesulfonate have?

It has 3 rotatable bond counts.

Is 2-(Trimethylsilyl)phenyltrifluoromethanesulfonate a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 6832-16-2
• 88284-48-4

• 43120-28-1

Reference: [1] Journal of Organic Chemistry, 2008, vol. 73, # 1, p. 219 - 226

Downstream Synthesis Route 2

• 623-73-4
• 88284-48-4

• 4498-68-4

Reference: [1] Angewandte Chemie - International Edition, 2007, vol. 46, # 18, p. 3323 - 3325
[2] Collection of Czechoslovak Chemical Communications, 2009, vol. 74, # 6, p. 957 - 972

Downstream Synthesis Route 3

• 623-73-4
• 88284-48-4

• 7716-35-0
• 4498-68-4

Reference: [1] Journal of Organic Chemistry, 2008, vol. 73, # 1, p. 219 - 226
[2] Organic Syntheses, 2010, vol. 87, p. 95 - 103

Downstream Synthesis Route 4

• 391-92-4
• 88284-48-4

• 2839-49-8

Reference: [1]Organic Letters,2005,vol. 7,p. 4273 - 4275

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