CAS 165963-73-5

Methyl 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate

Description:

Methyl 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate, identified by CAS number 165963-73-5, is a complex organic compound characterized by its unique structural features, including a benzoate moiety and a trifluoromethyl-substituted diazirine. This compound exhibits properties typical of both esters and heterocycles, which may influence its reactivity and solubility. The presence of trifluoromethyl groups often enhances lipophilicity and can impart biological activity, making it of interest in medicinal chemistry. The oxo and ether functionalities suggest potential for hydrogen bonding and reactivity in various chemical environments. Additionally, the azatridecane backbone indicates a significant molecular weight and complexity, which may affect its physical properties such as melting point and boiling point. Overall, this compound's intricate structure suggests potential applications in pharmaceuticals or materials science, particularly in areas requiring specific interactions or modifications at the molecular level.

Formula: C₂₁H₂₈F₃N₃O₇

InChI: InChI=1S/C21H28F3N3O7/c1-19(2,3)34-18(29)25-7-8-31-9-10-32-11-12-33-16-13-14(5-6-15(16)17(28)30-4)20(26-27-20)21(22,23)24/h5-6,13H,7-12H2,1-4H3,(H,25,29)

InChI key: InChIKey=LUZHOFLOLFEWPZ-UHFFFAOYSA-N

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

Synonyms:

• 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]Benzoic acid, methyl ester
• Benzoic acid, 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester
• Methyl 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate

Benzoic acid, 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester

CAS: 165963-73-5

Formula: C₂₁H₂₈F₃N₃O₇

Color and Shape: Liquid

Molecular weight: 491.4581

Ref: IN-DA001WFP

2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid Methyl Ester

Controlled Product

CAS: 165963-73-5

Stability Light and Moisture Sensitive
Applications A cross-linking 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: C₂₁H₂₈F₃N₃O₇

Color and Shape: Neat

Molecular weight: 491.4581

Ref: TR-B618600