114997-91-0

Basic information

• Product Name: 2-Chloro-5-(trifluoroMethyl)benzo[d]oxazole
• Synonyms: 2-Chloro-5-(trifluoroMethyl)benzo[d]oxazole;2-Chloro-5-(trifluoromethyl)-1,3-benzoxazole
• CAS NO: 114997-91-0
• Molecular Formula: C8H3ClF3NO
• Molecular Weight: 221.5637296
• Mol File: 114997-91-0.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 215.1±35.0 °C(Predicted)
• Appearance: /
• Density: 1.527±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: -3.86±0.10(Predicted)
• CAS DataBase Reference: 2-Chloro-5-(trifluoroMethyl)benzo[d]oxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-5-(trifluoroMethyl)benzo[d]oxazole(114997-91-0)
• EPA Substance Registry System: 2-Chloro-5-(trifluoroMethyl)benzo[d]oxazole(114997-91-0)

Safety Data

• Hazardous Substances Data: 114997-91-0(Hazardous Substances Data)

Usage

General Description

2-Chloro-5-(trifluoromethyl)benzo[d]oxazole, also known as oteracil, is a chemical compound with the molecular formula C8H4ClF3NO. It belongs to the class of heterocyclic compounds and is a derivative of benzo[d]oxazole. This chemical is used in the synthesis of various pharmaceuticals such as anticancer drugs, including tegafur and uracil-tegafur (UFT), as well as in agricultural products as an intermediate in the production of fungicides and herbicides. It is a white to off-white solid with a melting point of around 112-114°C and is primarily manufactured through synthetic chemical processes. 2-Chloro-5-(trifluoromethyl)benzo[d]oxazole is a versatile compound with various industrial applications in the pharmaceutical and agricultural sectors.

Upstream product

• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 
• 400-99-7 2-nitro-4-trifluoromethylphenol 
• 454-81-9 2-amino-4-(trifluoromethyl)phenol 
• 13451-80-4 5-(trifluoromethyl)-1,3-benzoxazole-2-thiol 

Relevant articles and documents

Synthesis and insecticidal activity of novel dihalopropene derivatives containing benzoxazole moiety: A structure-activity relationship study

Ten dichloropropene derivatives containing benzoxazole moiety were synthesized and bioassayed in order to determine their in vivo insecticidal activity. The structures of obtained compounds were identified by 1H NMR, MS and elemental analyses. The bioassay results indicated that compound 2-(3-(2,6-dichloro-4-(3,3-dichloroallyloxy)phenoxy)propoxy)-5-(trifluoromethyl) benzo[d]oxazole (5i, R1 is trifluoromethyl, R2 is H and n is 3) had the optimal structure with best insecticidal activity against Spodoptera exigua (100%) at 1 mg/L concentration, highlighting the importance of trifluoromethyl group. The structure-activity relationship of the synthesized compounds was discussed as well.

ANTIBIOTIC COMPOUNDS

The present invention relates to antibiotic compounds of formula (I), to compositions containing these compounds and to methods of treating bacterial diseases and infections using the compounds. The compounds find application in the treatment of infection with, and diseases caused by, Gram-positive and/or Gram-negative bacteria, and in particular in the treatment of infection with, and diseases caused by, Neisseria gonorrhoeae.

DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR

Compounds of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.