CAS 123557-91-5

5,7-Bis(1,1-dimethylethyl)-3-hydroxy-3-(trifluoromethyl)-2(3H)-benzofuranone

Description:

5,7-Bis(1,1-dimethylethyl)-3-hydroxy-3-(trifluoromethyl)-2(3H)-benzofuranone, with CAS number 123557-91-5, is a synthetic organic compound characterized by its complex structure, which includes a benzofuranone core. This compound features two tert-butyl groups (1,1-dimethylethyl) at the 5 and 7 positions, contributing to its hydrophobic nature and potentially influencing its solubility and stability. The presence of a hydroxy group at the 3 position enhances its reactivity and may participate in hydrogen bonding, while the trifluoromethyl group at the same position significantly affects its electronic properties, increasing lipophilicity and altering its interaction with biological systems. This compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and applications. Its stability, reactivity, and solubility characteristics make it a subject of study for researchers exploring new chemical entities with specific functional properties.

Formula: C₁₇H₂₁F₃O₃

InChI: InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3

InChI key: InChIKey=RVNOANDLZIIFHB-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1(O)C=2C(=C(C(C)(C)C)C=C(C(C)(C)C)C2)OC1=O

Synonyms:

• 2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-hydroxy-3-(trifluoromethyl)-
• 5,7-Bis(1,1-dimethylethyl)-3-hydroxy-3-(trifluoromethyl)-2(3H)-benzofuranone
• 5,7-Di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one
• rac-BHFF
• BHFF
• 5,7-Bis(1,1-dimethylethyl)-3-hydroxy-3(trifluoromethyl) -2(3H)-benzofuranone, 5,7-Di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one
• (R,S)-BHFF
• RACBHFF;RAC-BHFF;RAC BHFF
• rac BHFF >=98% (HPLC)

(R,S)-BHFF

CAS: 123557-91-5

Formula: C₁₇H₂₁F₃O₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 330.3420

Ref: IN-DA000KSV

rac-BHFF

CAS: 123557-91-5

rac-BHFF

Purity: ≥98%

Molecular weight: 330.34g/mol

Ref: 54-BUP10214

rac-BHFF

CAS: 123557-91-5

rac-BHFF, a GABA B receptor modulator, boosts GABA potency >15x, efficacy >149%, has anxiolytic effects, and is orally active.

Formula: C₁₇H₂₁F₃O₃

Purity: 99.69% - >99.99%

Color and Shape: Solid

Molecular weight: 330.34

Ref: TM-T4176