CAS 165963-72-4

Methyl 2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate

Description:

Methyl 2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate, with CAS number 165963-72-4, is a chemical compound characterized by its unique structure, which includes a benzoate moiety substituted with a hydroxyl group and a diazirine functional group. The presence of the trifluoromethyl group enhances its reactivity and stability, making it useful in various chemical applications, particularly in photochemistry and bioconjugation. The diazirine group is notable for its ability to undergo photolysis upon exposure to UV light, leading to the formation of reactive species that can covalently bond to nearby molecules, which is valuable in labeling and tracking biomolecules in biological studies. Additionally, the methyl ester functionality contributes to its solubility and reactivity in organic solvents. Overall, this compound is of interest in fields such as medicinal chemistry, materials science, and chemical biology due to its potential applications in drug development and molecular imaging.

Formula: C₁₀H₇F₃N₂O₃

InChI: InChI=1S/C10H7F3N2O3/c1-18-8(17)6-3-2-5(4-7(6)16)9(14-15-9)10(11,12)13/h2-4,16H,1H3

InChI key: InChIKey=UESDLZIPGDGBBE-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1(N=N1)C2=CC(O)=C(C(OC)=O)C=C2

Synonyms:

• Benzoic acid, 2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester
• Methyl 2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate
• methyl 2-hydroxy-4-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoate

methyl 2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate

CAS: 165963-72-4

Formula: C₁₀H₇F₃N₂O₃

Color and Shape: Solid

Molecular weight: 260.1694

Ref: IN-DA001WFQ

2-Hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid, Methyl Ester

Controlled Product

CAS: 165963-72-4

Stability Light and Moisture Sensitive
Applications A photoaffinity reagent.
References Hatanaka, Y. et al: Bioorg. Med. Chem., 2, 1367 (1994); Hatanaka, Y. et al: J. Org. Chem., 59, 383 (1994); Hatanaka, Y. et al: Bioorg. Med. Chem. 2, 1367 (1994)

Formula: C₁₀H₇F₃N₂O₃

Color and Shape: Neat

Molecular weight: 260.17

Ref: TR-H971525