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54696-05-8

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54696-05-8 Usage

Chemical Properties

white to cream crystalline powder

Preparation

Obtained by reaction of benzyl chloride with 4-hydroxyacetophenone in the presence of KOH in acetonitrile. Then, the mixture was refluxed for 3 h.

Check Digit Verification of cas no

The CAS Registry Mumber 54696-05-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,4,6,9 and 6 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 54696-05:
(7*5)+(6*4)+(5*6)+(4*9)+(3*6)+(2*0)+(1*5)=148
148 % 10 = 8
So 54696-05-8 is a valid CAS Registry Number.
InChI:InChI=1/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

54696-05-8 Well-known Company Product Price

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  • Alfa Aesar

  • (A18302)  4'-Benzyloxyacetophenone, 98%   

  • 54696-05-8

  • 5g

  • 665.0CNY

  • Detail
  • Alfa Aesar

  • (A18302)  4'-Benzyloxyacetophenone, 98%   

  • 54696-05-8

  • 25g

  • 1695.0CNY

  • Detail
  • Alfa Aesar

  • (A18302)  4'-Benzyloxyacetophenone, 98%   

  • 54696-05-8

  • 100g

  • 5760.0CNY

  • Detail

54696-05-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4'-Benzyloxyacetophenone

1.2 Other means of identification

Product number -
Other names Ethanone, 1-[4-(phenylmethoxy)phenyl]-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:54696-05-8 SDS

54696-05-8Relevant academic research and scientific papers

Europium complex of 5-(4-dodecyloxyphenyl)2,2’-bipyridine-6’-carboxylic acid

Kopchuk, Dmitry S.,Krinochkin, Alexey P.,Kim, Grigory A.,Kozhevnikov, Dmitry N.

, p. 394 - 396 (2017)

Based on ‘1,2,4-triazine’ methodology, a new lanthanide(III) ligand, 5-(4-dodecyloxyphenyl)-2,2’-bipyridine-6’-carboxylic acid, was synthesized, and its luminescent europium(III) complex was prepared. The solubility in organic solvents for both the ligand

Simple heteroaryl modifications in the 4,5-diarylisoxazol-3-carboxylic acid scaffold favorably modulates the activity as dual mPGES-1/5-LO inhibitors with in vivo efficacy

Gürses, Tu?ba,Ol?a?, Abdurrahman,Garscha, Ulrike,Gür Maz, Tu??e,Bal, Nur Banu,Uluda?, Orhan,?al??kan, Burcu,Schubert, Ulrich S.,Werz, Oliver,Banoglu, Erden

, (2021)

Microsomal prostaglandin E2 synthase-1 (mPGES-1), 5-lipoxygenase (5-LO) and 5- lipoxygenase-activating protein (FLAP) are key for biosynthesis of proinflammatory lipid mediators and pharmacologically relevant drug targets. In the present study, we made an attempt to explore the role of small heteroaromatic fragments on the 4,5-diarylisoxazol-3-carboxylic acid scaffold, which are selected to interact with focused regions in the active sites of mPGES-1, 5-LO and FLAP. We report that the simple structural variations on the benzyloxyaryl side-arm of the scaffold significantly influence the selectivity against mPGES-1, 5-LO and FLAP, enabling to produce multi-target inhibitors of these protein targets, exemplified by compound 18 (IC50 mPGES-1 = 0.16 μM; IC50 5-LO = 0.39 μM) with in vivo efficacy in animal model of inflammation. The computationally modeled binding structures of these new inhibitors for three targets provide clues for rational design of modified structures as multi-target inhibitors. In conclusion, the simple synthetic procedure, and the possibility of enhancing the potency of this class of inhibitors through structural modifications pave the way for further development of new multi-target inhibitors against mPGES-1, 5-LO and FLAP, with potential application as anti-inflammatory agents.

Discovery of Resorcinol-Based Polycyclic Structures as Tyrosinase Inhibitors for Treatment of Parkinson’s Disease

Li, Qi,Mo, Jun,Xiong, Baichen,Liao, Qinghong,Chen, Ying,Wang, Yuanyuan,Xing, Shuaishuai,He, Siyu,Lyu, Weiping,Zhang, Ning,Sun, Haopeng

, p. 81 - 96 (2021/12/17)

Tyrosinase is involved in the synthesis of neuromelanin in the substantia nigra, which is closely correlated with the pathogenesis of Parkinson’s disease. Herein, we identified S05014 (l-Tyr, IC50 = 6.25 ± 1.43 nM; l-Dopa, IC50 = 0.6

Photoinduced Acetylation of Anilines under Aqueous and Catalyst-Free Conditions

Yang, Yu-Ming,Yan, Wei,Hu, Han-Wei,Luo, Yimin,Tang, Zhen-Yu,Luo, Zhuangzhu

, p. 12344 - 12353 (2021/09/02)

A green and efficient visible-light induced functionalization of anilines under mild conditions has been reported. Utilizing nontoxic, cost-effective, and water-soluble diacetyl as photosensitizer and acetylating reagent, and water as the solvent, a variety of anilines were converted into the corresponding aryl ketones, iodides, and bromides. With advantages of environmentally friendly conditions, simple operation, broad substrate scope, and functional group tolerance, this reaction represents a valuable method in organic synthesis.

Chromium-Salen Complex/Nitroxyl Radical Cooperative Catalysis: A Combination for Aerobic Intramolecular Dearomative Coupling of Phenols

Nagasawa, Shota,Fujiki, Shogo,Sasano, Yusuke,Iwabuchi, Yoshiharu

, p. 6952 - 6968 (2021/05/29)

We describe an aerobic intramolecular dearomative coupling reaction of tethered phenols using a catalytic system consisting of a chromium-salen (Cr-salen) complex combined with a nitroxyl radical. This novel catalytic system enables formation of various spirocyclic dienone products including those unable to be accessed by previously reported methods efficiently under mild reaction conditions.

Light-Promoted Nickel Catalysis: Etherification of Aryl Electrophiles with Alcohols Catalyzed by a NiII-Aryl Complex

Cao, Rui,Lai, Chu-Hui,Li, Gang,Liu, Fengyi,Lu, Huan-Huan,Wang, Chao,Xiao, Jianliang,Xue, Dong,Yang, Liu,Zhang, Wei

supporting information, p. 12714 - 12719 (2020/06/02)

A highly effective C?O coupling reaction of (hetero)aryl electrophiles with primary and secondary alcohols is reported. Catalyzed by a NiII-aryl complex under long-wave UV (390–395 nm) irradiation in the presence of a soluble amine base without any additional photosensitizer, the reaction enables the etherification of aryl bromides and aryl chlorides as well as sulfonates with a wide range of primary and secondary aliphatic alcohols, affording synthetically important ethers. Intramolecular C?O coupling is also possible. The reaction appears to proceed via a NiI–NiIII catalytic cycle.

HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS

-

, (2020/07/16)

The present disclosure relates generally to compounds useful in treatment of conditions associated with mutant isocitrate dehydrogenase (mt-IDH), particularly mutant IDH1 enzymes. Specifically, the present invention discloses compound of formula (IA), which exhibits inhibitory activity against mutant IDH1 enzymes. Method of treating conditions associated with excessive activity of mutant IDH1 enzymes with such compound is disclosed. Uses thereof, pharmaceutical composition, and kits are also disclosed.

An alternative route for boron phenoxide preparation from arylboronic acid and its application for C[sbnd]O bond formation

Joo, Seong-Ryu,Kim, Seung-Hoi,Lim, In-Kyun

, (2020/08/06)

An efficient synthetic route to benzyl phenyl ether preparation has been successfully developed via a one-pot synthetic protocol utilizing a combination of arylboronic acids, hydrogen peroxide (H2O2), and benzyl halides. The whole procedure consists of two consecutive reactions, formation of boron phenoxide from arylboronic acids and its nucleophilic attack. A simple operation under mild conditions such as room-temperature ionic liquid (choline hydroxide), aerobic environment, and absence of metal- and base-catalysts has been employed. Expansion to utilize benzyl surrogates was also successfully accomplished.

General Paradigm in Photoredox Nickel-Catalyzed Cross-Coupling Allows for Light-Free Access to Reactivity

Nocera, Daniel G.,Qin, Yangzhong,Sun, Rui

supporting information, p. 9527 - 9533 (2020/04/08)

Self-sustained NiI/III cycles are established as a potentially general paradigm in photoredox Ni-catalyzed carbon–heteroatom cross-coupling reactions through a strategy that allows us to recapitulate photoredox-like reactivity in the absence of light across a wide range of substrates in the amination, etherification, and esterification of aryl bromides, the latter of which has remained, hitherto, elusive under thermal Ni catalysis. Moreover, the accessibility of esterification in the absence of light is especially notable because previous mechanistic studies on this transformation under photoredox conditions have unanimously invoked energy-transfer-mediated pathways.

Vanadium-Catalyzed Oxidative Intramolecular Coupling of Tethered Phenols: Formation of Phenol-Dienone Products

Gilmartin, Philip H.,Kozlowski, Marisa C.

supporting information, p. 2914 - 2919 (2020/04/10)

A mild and efficient method for the vanadium-catalyzed intramolecular coupling of tethered free phenols is described. The corresponding phenol-dienone products are prepared directly in good yields with low catalyst loadings. Electronically diverse tethered phenol precursors are well tolerated, and the catalytic method was effectively applied as the key step in syntheses of three natural products and a synthetically useful morphinan alkaloid precursor.

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