286441-66-5

Basic information

• Product Name: 2-METHOXY-4-TRIFLUOROMETHYL METHYLBENZOATE
• Synonyms: 2-METHOXY-4-TRIFLUOROMETHYL METHYLBENZOATE;2-METHOXY-4-TRIFLUROMETHYL METHYLBENZOATE;methyl 2-methoxy-4-(trifluoromethyl)benzoate;2-Methoxy-4-trifluoromethyl-benzoic acid methyl ester
• CAS NO: 286441-66-5
• Molecular Formula: C₁₀H₉F₃O₃
• Molecular Weight: 234.17
• Mol File: 286441-66-5.mol

Chemical Properties

• Boiling Point: 262.5°C at 760 mmHg
• Flash Point: 109.2°C
• Appearance: /
• Density: 1.266g/cm³
• Vapor Pressure: 0.0109mmHg at 25°C
• Refractive Index: 1.45
• CAS DataBase Reference: 2-METHOXY-4-TRIFLUOROMETHYL METHYLBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHOXY-4-TRIFLUOROMETHYL METHYLBENZOATE(286441-66-5)
• EPA Substance Registry System: 2-METHOXY-4-TRIFLUOROMETHYL METHYLBENZOATE(286441-66-5)

Safety Data

• Hazardous Substances Data: 286441-66-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H9F3O3/c1-15-8-5-6(10(11,12)13)3-4-7(8)9(14)16-2/h3-5H,1-2H3

Upstream product

• 124-41-4 sodium methylate 
• 220162-64-1 methyl 2-fluoro-4-(trifluoromethyl)benzoate 
• 328-90-5 4-trifluoromethylsalicylic acid 
• 74-88-4 methyl iodide 

Downstream Products

• 286441-68-7 2-methoxy-4-(trifluoromethyl)benzyl alcohol 
• 132927-09-4 2-methoxy-4-(trifluoromethyl)benzaldehyde 
• 1025953-97-2 (2E,4E)-5-(2-Methoxy-4-trifluoromethyl-phenyl)-penta-2,4-dienal 
• 1025993-04-7 (2E,4E)-5-(2-Methoxy-4-trifluoromethyl-phenyl)-penta-2,4-dien-1-ol 
• 1026230-08-9 (2E,4E)-5-(2-Methoxy-4-trifluoromethyl-phenyl)-penta-2,4-dienoic acid ethyl ester 
• 228572-69-8 1-<2-Hydroxy-4-(trifluoromethyl)phenyl>ethanone 
• 448-36-2 2-methoxy-4-(trifluoromethyl)-benzoic acid 

Relevant articles and documents

Optimization of chromone-2-carboxamide melanin concentrating hormone receptor 1 antagonists: Assessment of potency, efficacy, and cardiovascular safety

Evaluation of multiple structurally distinct series of melanin concentrating hormone receptor 1 antagonists in an anesthetized rat cardiovascualar assay led to the identification of a chromone-2-carboxamide series as having excellent safety against the chosen cardiovascular endpoints at high drug concentrations in the plasma and brain. Optimization of this series led to considerable improvements in affinity, functional potency, and pharmacokinetic profile. This led to the identification of a 7-fluorochromone-2-carboxamide (22) that was orally efficacious in a diet-induced obese mouse model, retained a favorable cardiovascular profile in rat, and demonstrated dramatic improvement in effects on mean arterial pressure in our dog cardiovascular model compared to other series reported by our group. However, this analogue also led to prolongation of the QT interval in the dog that was linked to affinity for hERG channel and unexpectedly potent functional blockade of this ion channel.

Synthesis and antifungal activities of R-102557 and related dioxane- triazole derivatives

Novel triazole compounds with a dioxane ring were synthesized. Condensation of the diol precursor 10 with various aromatic aldehydes 11 - 13 under acidic conditions afforded a series of dioxane-triazole compounds 14 - 16. The antifungal activities of the compounds 14 - 16 were evaluated in vivo in mice infection models against Candida and Aspergillus species. High activities were seen for the derivatives with one or two double bond(s) and an aromatic ring substituted with an electron-withdrawing group in the side chain. Among the derivatives, R-102557 (16R: Ar=4-(2,2,3,3- tetrafluoropropoxy)phenyl) showed excellent in vivo activities against Candida, Aspergillus and Cryptococcus species. It also showed high tolerance in a preliminary toxicity study in rats.