ChemicalBook--->CAS DataBase List--->313546-16-6

313546-16-6

313546-16-6 Structure

313546-16-6 Structure
IdentificationMore
[Name]

4-METHOXY-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
[CAS]

313546-16-6
[Synonyms]

4-METHOXY-2-(TRIFLUOROMETHYL)BENZENEBORONIC ACID
4-METHOXY-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
4-METHOXY-2-(TRIFLUOROMETHYL)PHENYLBORO&
4-METHOXY-2-(TRIFLUOROMETHYL)PHENYLBRONIC ACID
[Molecular Formula]

C8H8BF3O3
[MDL Number]

MFCD03095346
[Molecular Weight]

219.95
[MOL File]

313546-16-6.mol
Chemical PropertiesBack Directory
[Melting point ]

168-172 °C
[Boiling point ]

314.1±52.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder to crystal
[pka]

8.54±0.58(Predicted)
[color ]

White to Almost white
[InChI]

1S/C8H8BF3O3/c1-15-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
[InChIKey]

ZBCRZEJNAADYKG-UHFFFAOYSA-N
[SMILES]

COc1ccc(B(O)O)c(c1)C(F)(F)F
[CAS DataBase Reference]

313546-16-6(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2931900090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Reactant involved in:
  • Synthesis of pyrazine derivatives as corticotropin releasing factor-1 receptor antagonists
  • C-H functionalization of quinones
  • Phenyl-purine-carbonitrile derivative synthesis as cathepsin S inhibitors
  • Synthesis of chiral bicyclooctadiene-based ligands
  • Synthesis of corticotropin-releasing factor-1 antagonists
[Uses]

Reactant involved in:• ;Synthesis of pyrazine derivatives as corticotropin releasing factor-1 receptor antagonists1• ;C-H functionalization of quinones1• ;Phenyl-purine-carbonitrile derivative synthesis as cathepsin S inhibitors2• ;Synthesis of chiral bicyclooctadiene-based ligands3• ;Synthesis of corticotropin-releasing factor-1 antagonists4
[Uses]

suzuki reaction
[Synthesis]

Three.0 g (8.85 mmol) of potassium phosphate heptahydrate, 1.50 g (5.90 mmol) of bis(boronic acid) pinacol ester B2(pin)2, 12 mg (0.015 mmol) Xphos-Pd-G2 and 4 mg (0.008 mmol) Xphos were added sequentially to the reaction vial, 6 mL of ethanol was ad

Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Methoxy-2-(trifluoromethyl)benzeneboronic acid(313546-16-6)
[Sigma Aldrich]

313546-16-6(sigmaaldrich)
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