683242-93-5

Basic information

• Product Name: 4-TRIFLUOROMETHYLCYCLOHEX-1-ENYL-1-BORONIC ACID PINACOL ESTER
• Synonyms: 4-TRIFLUOROMETHYLCYCLOHEX-1-ENYL-1-BORONIC ACID PINACOL ESTER;4-(Trifluoromethyl)-1-cyclohexen-1-boronic acid pinacol ester;4,4,5,5-Tetramethyl-2-[4-(trifluoromethyl)cyclohex-1-en-1-yl]-1,3,2-dioxaborolane;1,3,2-Dioxaborolane, 4,4,5,5-tetraMethyl-2-[4-(trifluoroMethyl)-1-cyclohexen-1-yl]-;4,4,5,5-TetraMethyl-2-[4-(trifluoroMethyl)-1-cyclohexen-1-yl]-1,3,2-dioxaborolane;4-(TrifluoroMethyl)cyclohex-1-enylboronic acid pinacol ester;4-Trifluoromethyl-1-cyclohexen-1-ylboronic acid pinacol ester;-1-cyclohexen-1-yl]-1,3,2-dioxaborolane
• CAS NO: 683242-93-5
• Molecular Formula: C₁₃H₂₀BF₃O₂
• Molecular Weight: 276.1
• Mol File: 683242-93-5.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 243℃
• Flash Point: 101℃
• Appearance: /
• Density: 1.10
• Vapor Pressure: 0.052mmHg at 25°C
• Refractive Index: 1.433
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• CAS DataBase Reference: 4-TRIFLUOROMETHYLCYCLOHEX-1-ENYL-1-BORONIC ACID PINACOL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TRIFLUOROMETHYLCYCLOHEX-1-ENYL-1-BORONIC ACID PINACOL ESTER(683242-93-5)
• EPA Substance Registry System: 4-TRIFLUOROMETHYLCYCLOHEX-1-ENYL-1-BORONIC ACID PINACOL ESTER(683242-93-5)

Safety Data

• Hazardous Substances Data: 683242-93-5(Hazardous Substances Data)

Usage

General Description

4-Trifluoromethylcyclohex-1-enyl-1-boronic acid pinacol ester is a chemical compound that belongs to the family of boronic acid derivatives. It is often used as a reagent in organic synthesis, particularly in the formation of carbon-carbon and carbon-heteroatom bonds. 4-TRIFLUOROMETHYLCYCLOHEX-1-ENYL-1-BORONIC ACID PINACOL ESTER is known for its stability and versatility, making it a valuable tool in the development of new pharmaceuticals and agrochemicals. Its trifluoromethyl group imparts unique properties to the molecule, making it of interest in the field of medicinal chemistry. Overall, 4-trifluoromethylcyclohex-1-enyl-1-boronic acid pinacol ester is a useful building block in the synthesis of complex organic molecules.

InChI:InChI=1/C13H20BF3O2/c1-11(2)12(3,4)19-14(18-11)10-7-5-9(6-8-10)13(15,16)17/h7,9H,5-6,8H2,1-4H3

Upstream product

• 865869-25-6 4-(trifluoromethyl)cyclohex-1-en-1-yl trifluoromethanesulfonate 
• 73183-34-3 bis(pinacol)diborane 
• 75091-99-5 4-(trifluoromethyl)cyclohexan-1-one 

Downstream Products

• 683243-45-0 6-(trifluoromethyl)-4-(4-(trifluoromethyl)cyclohex-1-enyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole 
• 862461-74-3 N-{4-[6-(4-trifluoromethyl-cyclohex-1-enyl)-pyrimidin-4-yloxy]-benzothiazol-2-yl}-acetamide 
• 1590398-36-9 [6-[4-(trifluoromethyl)cyclohex-1-en-1-yl]pyrimidin-4-yl]methanol 
• 1590398-37-0 2-([6-[4-(trifluoromethyl)cyclohex-1-en-1-yl]pyrimidin-4-yl]methyl)2,3-dihydro-1H-isoindole-1,3-dione 
• 1590398-38-1 [6-[4-(trifluoromethyl)cyclohex-1-en-1-yl]pyrimidin-4-yl]methanamine 
• 1590397-67-3 2-(4-fluoro-N-isopropylphenylsulfonamido)-N-((6-(4-(trifluoromethyl)cyclohex-1-enyl)pyrimidin-4-yl)methyl)acetamide 
• 1590398-35-8 methyl 6-(4-(trifluoromethyl)cyclohex-1-enyl)pyrimidine-4-carboxylate 

Relevant articles and documents

1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS

The invention is concerned with the compounds of formula I and salts thereof and other compounds of formulas II-IX as disclosed herein. In addition, the present invention relates to methods of manufacturing and methods of using the compounds of formulas I-IX as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain or asthma.

Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties

Based on the previously reported clinical candidate, AMG 517 (compound 1), a series of related piperazinylpyrimidine analogues were synthesized and evaluated as antagonists of the vanilloid 1 receptor (VR1 or TRPV1). Optimization of in vitro potency and physicochemical and pharmacokinetic properties led to the discovery of (R)-N-(4-(6-(4-(1-(4-fluorophenyl)ethyl) piperazin-1-yl)pyrimidin-4-yloxy)benzo[d]-thiazol-2-yl)acetamide (16p), a potent TRPV1 antagonist [rTRPV1(CAP) IC50 = 3.7 nM] with excellent aqueous solubility (≥200 μg/mL in 0.01 N HCl) and a reduced half-life (rat t 1/2 = 3.8 h, dog t1/2 = 2.7 h, monkey t1/2 = 3.2 h) as compared to AMG 517. In addition, compound 16p was shown to be efficacious at blocking a TRPV1-mediated physiological response in vivo (ED 50 = 1.9 mg/kg, p.o. in the capsaicin-induced flinch model in rats) and was also effective at reducing thermal hyperalgesia induced by complete Freund's adjuvant in rats (MED = 1 mg/kg, p.o). Based on its improved overall profile, compound 16p (AMG 628) was selected as a second-generation candidate for further evaluation in human clinical trials as a potential new treatment for chronic pain.

4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS

Novel antiviral compounds of Formula (I) : wherein: A represents hydroxy; R1 represents aryl, heteroaryl bonded through a ring carbon atom, or heterocyclyl bonded through a ring carbon atom, C1-6alkyl or -C5-9cycloalkyl, each of which may be optionally su