4-(Trifluoromethyl)benzophenone Chemical Properties

Melting point:

114-116 °C(lit.)

Boiling point:

309.2±42.0 °C(Predicted)

Density 

1.2778 (estimate)

storage temp. 

Sealed in dry,Room Temperature

form 

Crystalline Solid

color 

Off-white to beige

BRN 

1879572

InChI

InChI=1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H

InChIKey

OHTYZZYAMUVKQS-UHFFFAOYSA-N

SMILES

C(C1=CC=CC=C1)(C1=CC=C(C(F)(F)F)C=C1)=O

CAS DataBase Reference

728-86-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39-24/25

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29147000

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-(Trifluoromethyl)benzophenone Usage And Synthesis

Chemical Properties

OFF-WHITE TO BEIGE CRYSTALLINE SOLID

Uses

11β-HSD1-IN-7 (compound c10a) is a 11β HSD1 inhibitor with an IC50 value of 1.9 μM for human 11β HSD1. 11β-HSD1-IN-7 can be used for the research of diabetes and cognitive decline[1].

Synthesis

A solution of diphenylmethanol (1 mmol), NBS (1.3equiv.), KOAc (1.5 equiv.) H2O (1.5 mL), and CH2Cl2 (0.5mL) was magnetically stirred in 25 mL flask at room temperaturefor 10 h. The reaction mixture was added into water(10 mL), and extracted with EtOAc (3 × 10 mL). The combinedEtOAc extracts were dried over anhydrous MgSO4,filtrated, and then the solvent was removed under reducedpressure. The residue was purified by the flash columnchromatography on silica gel with PE or PE/EtOAc as theeluent to obtain the desired product 4-(Trifluoromethyl)benzophenone.

References

[1] Naredo-Gonzalez G, et al. Non-invasive in vivo assessment of 11β-hydroxysteroid dehydrogenase type 1 activity by 19F-Magnetic Resonance Spectroscopy. Sci Rep. 2022 Sep 29;12(1):16268. DOI:10.1038/s41598-022-18740-5

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