36823-88-8

Basic information

• Product Name: 4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE
• Synonyms: P-TRIFLUOROMETHOXYBENZOYL CHLORIDE;TIMTEC-BB SBB006550;4-(TRIFLUOROMETHOXY)BENZENE-1-CARBONYL CHLORIDE;4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE;4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE, 98 %;4-(Trifluoromethoxy)benzoyl chloride 98%;[4-(trifluoroMethoxy)phenyl]carbonylchloranuide;4-(TrifluoroMethoxy)benzoyl chloride, 98% 1GR
• CAS NO: 36823-88-8
• Molecular Formula: C₈H₄ClF₃O₂
• Molecular Weight: 224.56
• EINECS: -0
• Product Categories: Acid Halides;Carbonyl Compounds;Organic Building Blocks
• Mol File: 36823-88-8.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 55-56 °C2 mm Hg(lit.)
• Flash Point: 90 °F
• Appearance: Clear colorless to pink/Liquid
• Density: 1.425 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.472(lit.)
• Storage Temp.: Flammables area
• Sensitive: Moisture Sensitive
• BRN: 2723543
• CAS DataBase Reference: 4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE(36823-88-8)
• EPA Substance Registry System: 4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE(36823-88-8)

Safety Data

• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 2920 8/PG 2
• WGK Germany: 3
• F: 21
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 36823-88-8(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to pink liquid

General Description

4-(Trifluoromethoxy)benzoyl chloride (4-(Trifluoromethoxy)-1-benzenecarbonyl chloride, 4-(Chlorocarbonyl)-α,α,α-trifluoroanisole, 4-(Chloroformyl)-α,α,α-trifluoroanisole) is a clear, colorless liquid. It is an organic building block. Its density and refractive index values have been reported.

InChI:InChI=1/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1

Upstream product

• 407-14-7 1-bromo-4-(trifluoromethoxy)benzene 
• 141-75-3 butyryl chloride 
• 780-31-4 methyl 4-(trifluoromethoxy)benzoate 
• 330-12-1 4-trifluoromethoxybenzoic acid 

Downstream Products

• 136955-02-7 4-Trifluoromethoxy-benzoic acid (1R,3R,5S)-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester 
• 905730-49-6 2-(4-trifluoromethoxy-benzoylamino)-malonic acid dimethyl ester 
• 456-71-3 4-trifluoromethoxybenzamide 
• 927671-95-2 N-[2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-4-trifluoromethoxybenzamide 
• 1047648-77-0 N-{(1S)-1-cyano-1-[(2R)-5-cyano-2,3-dihydro-1-benzofuran-2-yl]ethyl}-4-(trifluoromethoxy)benzamide 
• 1047648-74-7 N-{(1S)-1-cyano-1-[(2S)-5-cyano-2,3-dihydro-1-benzofuran-2-yl]ethyl}-4-(trifluoromethoxy)benzamide 
• 1047648-73-6 N-{(1R)-1-cyano-1-[(2R)-5-cyano-2,3-dihydro-1-benzofuran-2-yl]ethyl}-4-(trifluoromethoxy)benzamide 
• 1047648-76-9 N-{(1R)-1-cyano-1-[(2S)-5-cyano-2,3-dihydro-1-benzofuran-2-yl]ethyl}-4-(trifluoromethoxy)benzamide 
• 1047648-84-9 N-{(1S)-1-[(2R)-7-chloro-5-cyano-2,3-dihydro-1-benzofuran-2-yl)-1-cyanoethyl]-4-(trifluoromethoxy)benzamide 
• 1047648-79-2 N-{(1R)-1-[(2R)-7-chloro-5-cyano-2,3-dihydro-1-benzofuran-2-yl)-1-cyanoethyl]-4-(trifluoromethoxy)benzamide 
• 1047648-80-5 N-{(1S)-1-[(2S)-7-chloro-5-cyano-2,3-dihydro-1-benzofuran-2-yl)-1-cyanoethyl]-4-(trifluoromethoxy)benzamide 
• 1047648-83-8 N-{(1R)-1-[(2S)-7-chloro-5-cyano-2,3-dihydro-1-benzofuran-2-yl)-1-cyanoethyl]-4-(trifluoromethoxy)benzamide 

Relevant articles and documents

3-(3'-hydroxybutyl) isobenzofuran-1(3H)-ketone derivative as well as composition, preparation method and application thereof

The invention belongs to the field of medicines, and particularly relates to a 3-(3-hydroxybutyl) isobenzofuran-1(3H)-ketone derivative as well as a composition, a preparation method and application thereof, and the derivative is a compound with a structu

Identification and optimization of 3-bromo-N’-(4-hydroxybenzylidene)-4-methylbenzohydrazide derivatives as mTOR inhibitors that induce autophagic cell death and apoptosis in triple-negative breast cancer

Triple negative breast cancer (TNBC) has a worse prognosis than other types of breast cancer due to its special biological behavior and clinicopathological characteristics. TNBC cell proliferation and progression to metastasis can be suppressed by inducing cytostatic autophagy. mTOR is closely related to autophagy and is involved in protein synthesis, nutrient metabolism and activating mTOR promotes tumor growth and metastasis. In this paper, we adopted the strategy of structure simplification, aimed to look for novel small-molecule inhibitors of mTOR by pharmacophore-based virtual screening and biological activity determination. We found a lead compound with 3-bromo-N’-(4-hydroxybenzylidene)-4-methylbenzohydrazide for rational drug design and structural modification, then studied its structure-activity relationship. After that, compound 7c with the best TNBC cells inhibitory activities and superior mTOR enzyme inhibitory activity was obtained. In addition, we found that compound 7c could induce autophagic cell death and apoptosis in MDA-MB-231 and MDA-MB-468 cell lines. In conclusion, these findings provide new clues for our 3-bromo-N’-(4-hydroxybenzylidene)-4-methylbenzohydrazide derivatives, which are expected to become drug candidates for the treatment of TNBC in the future.

Rhenium-Catalyzed Phthalide Synthesis from Benzamides and Aldehydes via C-H Bond Activation

The [4 + 1] annulation of benzamides and aldehydes for phthalide synthesis was achieved via rhenium-catalyzed C-H activation, which demonstrates an unprecedented reaction pattern distinct from those of other transition-metal catalyses. The reaction also features readily available starting materials, a wide scope for both electro-rich and electro-deficient substrates, and the elimination of homoannulation byproducts.