946-80-5 Usage
Description
Benzyl phenyl ether is a reactive organic oxygenate, containing an ether functional group. It is present in subbituminous and bituminous coals and is characterized by a weak ether bond of 234 kJ/mol, making it one of the most thermo-labile compounds in lignin and low-rank coal. Benzyl phenyl ether is useful as a model compound in catalytic chemistry to represent the α-O4 ether bond found in lignin and coal.
Uses
Used in Catalytic Chemistry:
Benzyl phenyl ether is used as a model compound for studying the α-O4 ether bond in lignin and coal. It helps researchers understand the reaction pathways and mechanisms involved in the catalytic conversion of these complex materials.
Used in Biomass Conversion:
Benzyl phenyl ether is used in the study of biomass conversion processes, particularly in the investigation of the influence of alkali carbonates, which are common additives in biomass conversion. The reaction pathways of benzyl phenyl ether in superheated water have been reported, providing insights into the conversion of lignin and coal.
Used in the Production of Aromatics:
Benzyl phenyl ether is used in the investigation of cesium-exchanged heteropolyacid catalyzed decomposition to produce aromatics. This research is important for developing efficient methods to convert lignin and coal into valuable chemical products.
Used in Photo-Claisen Rearrangements:
Benzyl phenyl ether is used in the study of photo-Claisen rearrangements in cation-exchanged Y zeolites and polyethylenes of differing crystallinities. This research contributes to the understanding of the rearrangement reactions and their potential applications in the synthesis of various organic compounds.
General Description:
Benzyl phenyl ether is a light brown-orange chunky substance, which is a reactive organic oxygenate containing an ether functional group. It is present in subbituminous and bituminous coals and is a useful model compound for studying the α-O4 ether bond in lignin and coal. Its weak ether bond of 234 kJ/mol makes it one of the most thermo-labile compounds in lignin and low-rank coal.
Check Digit Verification of cas no
The CAS Registry Mumber 946-80-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,4 and 6 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 946-80:
(5*9)+(4*4)+(3*6)+(2*8)+(1*0)=95
95 % 10 = 5
So 946-80-5 is a valid CAS Registry Number.
InChI:InChI=1/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2
946-80-5Relevant articles and documents
Visible light mediated synthesis of 6H-benzo[c]chromenes: transition-metal-free intramolecular direct C-H arylation
Budén, María E.,Heredia, Micaela D.,Puiatti, Marcelo,Rossi, Roberto A.
, p. 228 - 239 (2021/12/29)
A synthetic approach towards the 6H-benzo[c]chromene ring under visible light and transition-metal-free conditions has been developed. Benzochromenes are synthesized from the corresponding (2-halobenzyl) phenyl ethers or (2-halophenyl) benzyl ethers using
Direct Deamination of Primary Amines via Isodiazene Intermediates
Berger, Kathleen J.,Driscoll, Julia L.,Yuan, Mingbin,Dherange, Balu D.,Gutierrez, Osvaldo,Levin, Mark D.
supporting information, p. 17366 - 17373 (2021/11/04)
We report here a reaction that selectively deaminates primary amines and anilines under mild conditions and with remarkable functional group tolerance including a range of pharmaceutical compounds, amino acids, amino sugars, and natural products. An anomeric amide reagent is uniquely capable of facilitating the reaction through the intermediacy of an unprecedented monosubstituted isodiazene intermediate. In addition to dramatically simplifying deamination compared to existing protocols, our approach enables strategic applications of iminium and amine-directed chemistries as traceless methods. Mechanistic and computational studies support the intermedicacy of a primary isodiazene which exhibits an unexpected divergence from previously studied secondary isodiazenes, leading to cage-escaping, free radical species that engage in a chain, hydrogen-atom transfer process involving aliphatic and diazenyl radical intermediates.
Radical Anion Promoted Chemoselective Cleavage of Csp2-S Bond Enables Formal Cross-Coupling of Aryl Methyl Sulfones with Alcohols
Bai, Jixiang,Wang, Tianxin,Dai, Botao,Liu, Qingchao,Yu, Peiyuan,Jia, Tiezheng
supporting information, p. 5761 - 5765 (2021/08/16)
A novel formal cross-coupling of aryl methyl sulfones and alcohols affording alkyl aryl ethers via an SRN1 pathway is developed. Two marketed antitubercular drugs were efficiently prepared employing this approach as the key step. A dimsyl-anion initiated radical chain process was revealed as the major pathway. DFT calculations indicate that the formation of a radical anion via nucleophilic addition of alkoxide to the aryl radical is the key step in determining the observed chemoselectivity.
