170916-55-9

Basic information

• Product Name: 1-(4-[(3,4-DICHLOROBENZYL)OXY]PHENYL)ETHAN-1-ONE
• Synonyms: TIMTEC-BB SBB002394;1-(4-[(3,4-DICHLOROBENZYL)OXY]PHENYL)ETHAN-1-ONE;1-(4-[(3,4-DICHLOROBENZYL)OXY]PHENYL)-1-ETHANONE;4'-[(3,4-Dichlorobenzyl)oxy]acetophenone;1-(4-((3,4-Dichlorobenzyl)oxy)phenyl)ethanone;EOS-61361;1-(4-((3,4-Dichlorobenzyl)oxy)phenyl)ethanone（WS203201）
• CAS NO: 170916-55-9
• Molecular Formula: C15H12Cl2O2
• Molecular Weight: 295.16
• Mol File: 170916-55-9.mol
• Article Data: 1

Chemical Properties

• Melting Point: 83-85
• Boiling Point: 433.2°C at 760 mmHg
• Flash Point: 174.2°C
• Appearance: /
• Density: 1.285g/cm³
• Vapor Pressure: 1.05E-07mmHg at 25°C
• Refractive Index: 1.587
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-(4-[(3,4-DICHLOROBENZYL)OXY]PHENYL)ETHAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-[(3,4-DICHLOROBENZYL)OXY]PHENYL)ETHAN-1-ONE(170916-55-9)
• EPA Substance Registry System: 1-(4-[(3,4-DICHLOROBENZYL)OXY]PHENYL)ETHAN-1-ONE(170916-55-9)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 170916-55-9(Hazardous Substances Data)

Usage

General Description

1-(4-[(3,4-DICHLOROBENZYL)OXY]PHENYL)ETHAN-1-ONE is a chemical compound with the molecular formula C17H14Cl2O2. It is an organic compound that consists of a phenyl group attached to an ethanone group, with a 3,4-dichlorobenzyl ether substituent attached to the phenyl ring. This chemical is commonly used in the manufacturing of pharmaceuticals, fragrances, and flavorings. It is also used as a precursor in the synthesis of various organic compounds. The compound has potential applications in the fields of medicinal chemistry and chemical synthesis.

InChI:InChI=1/C15H12Cl2O2/c1-10(18)12-3-5-13(6-4-12)19-9-11-2-7-14(16)15(17)8-11/h2-8H,9H2,1H3

Upstream product

• 102-47-6 3,4-Dichlorophenylmethyl chloride 
• 99-93-4 4-Hydroxyacetophenone 

Relevant articles and documents

Continuous Flow Conditions for High Temperature Formation of a Benzodioxan Pharmaceutical Intermediate: Rapid Scaleup for Early Phase Material Delivery

We have developed a continuous flow method to enable rapid scaleup of an enantioenriched benzodioxan intermediate. We propose that the reaction proceeds through an intramolecular SNAr cyclization. Interestingly, traditional SNAr conditions resulted in impurity formation. When the starting material 2 was treated with alkali base in polar aprotic solvents, an undesired product regioisomer was observed. The formation of this regioisomer impurity could be suppressed by using a less polar solvent, an organic base, and high temperature. By employing continuous flow technology, these high temperature conditions could be scaled up to produce 540 g of the desired intermediate. The continuous flow reactor allowed for rapid thermal equilibration, which minimized problematic product decomposition by reducing the time that the product was exposed to high temperature.