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2-Benzyloxybenzaldehyde is a benzaldehyde derivative characterized by its clear pale yellow liquid appearance. It is known for its enantioselective cyanoformylation properties when reacted with ethyl cyanoformate in the presence of a vanadium(V) chiral salen complex and imidazole, leading to the formation of the corresponding cyanohydrin carbonate.

5896-17-3

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5896-17-3 Usage

Uses

Used in Organic Chemical Synthesis:
2-Benzyloxybenzaldehyde is utilized as an organic chemical synthesis intermediate, playing a crucial role in the creation of various complex organic compounds.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Benzyloxybenzaldehyde is used as a key intermediate for the synthesis of several pharmaceutical compounds, including:
1. 2-Benzyloxy-2′-hydroxy-3′,4′,6′-trimethoxychalcone
2. N2-(2-Benzyloxy)benzylidenyl isonicotinic acid hydrazide
3. 2-Hydroxy-2′-methoxybenzophenone
4. 2′-Hydroxy-5,6,7-trimethoxyflavone
These synthesized compounds have potential applications in the development of new drugs and therapeutic agents, highlighting the importance of 2-Benzyloxybenzaldehyde in the pharmaceutical sector.

Check Digit Verification of cas no

The CAS Registry Mumber 5896-17-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,8,9 and 6 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5896-17:
(6*5)+(5*8)+(4*9)+(3*6)+(2*1)+(1*7)=133
133 % 10 = 3
So 5896-17-3 is a valid CAS Registry Number.
InChI:InChI=1/C14H12O2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-10H,11H2

5896-17-3 Well-known Company Product Price

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  • Alfa Aesar

  • (L12866)  2-Benzyloxybenzaldehyde, 98%   

  • 5896-17-3

  • 10g

  • 315.0CNY

  • Detail
  • Alfa Aesar

  • (L12866)  2-Benzyloxybenzaldehyde, 98%   

  • 5896-17-3

  • 50g

  • 1049.0CNY

  • Detail

5896-17-3SDS

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 2-Benzyloxybenzaldehyde

1.2 Other means of identification

Product number -
Other names 2-phenylmethoxybenzaldehyde

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:5896-17-3 SDS

5896-17-3Relevant academic research and scientific papers

A Short, Atom-Economical Entry to Tetrahydroxanthenones

Lesch, Bernhard,Braese, Stefan

, p. 115 - 118 (2004)

A reaction that takes to water: The domino Michael addition/aldol condensation of salicylic aldehydes like 1 as the nucleophile and 2-cyclohexen-1-one (2) as the Michael acceptor provides 2,3,4,4a-tetrahydroxanthen-1-ones such as 3 in good yields. DABCO =

N-Type Doping of Organic Semiconductors: Immobilization via Covalent Anchoring

Reiser, Patrick,Benneckendorf, Frank S.,Barf, Marc-Michael,Müller, Lars,B?uerle, Rainer,Hillebrandt, Sabina,Beck, Sebastian,Lovrincic, Robert,Mankel, Eric,Freudenberg, Jan,J?nsch, Daniel,Kowalsky, Wolfgang,Pucci, Annemarie,Jaegermann, Wolfram,Bunz, Uwe H. F.,Müllen, Klaus

, p. 4213 - 4221 (2019)

Electrical doping is an important tool in the design of organic devices to modify charge carrier concentration in and Fermi level position of organic layers. The undesired diffusion of dopant molecules within common transport materials adversely affects b

Synthesis and antiviral activity of 1-hydroxy-2-(2-hydroxyphenyl)imidazoles against vaccinia virus

Nikitina,Bormotov,Shishkina,Tikhonov, A. Ya.,Perevalov

, p. 634 - 637 (2019)

2-(2-Hydroxyplienyl)imidazole derivatives were synthesized and tested for antiviral activity against vaccinia virus in Vero cell culture. 1-Methylimidazole 3-oxides, 1-methoxyimidazoles, and 1H-imidazoles showed no activity, whereas some 1-hydroxyimidazole derivatives hold promise, exhibiting antiviral activity and weak cytotoxicity.

Design and structural optimization of novel 2H-benzo[h]chromene derivatives that target AcrB and reverse bacterial multidrug resistance

Wang, Yinhu,Alenazy, Rawaf,Gu, Xinjie,Polyak, Steven W.,Zhang, Panpan,Sykes, Matthew J.,Zhang, Na,Venter, Henrietta,Ma, Shutao

, (2020/12/07)

Drug efflux pumps have emerged as a new drug targets for the treatment of bacterial infections in view of its critical role in promoting multidrug resistance. Herein, novel chromanone and 2H-benzo[h]chromene derivatives were designed by means of integrated molecular design and structure-based pharmacophore modeling in an attempt to identify improved efflux pump inhibitors that target Escherichia coli AcrB. The compounds were tested for their efflux inhibitory activity, ability to inhibit efflux, and the effect on bacterial outer and inner membranes. Twenty-three novel structures were identified that synergized with antibacterials tested, inhibited Nile Red efflux, and acted specifically on the AcrB. Among them, WK2, WL7 and WL10 exhibiting broad-spectrum and high-efficiency efflux inhibitory activity were identified as potential ideal AcrB inhibitors. Molecular modeling further revealed that the strong π-π stacking interactions and hydrogen bond networks were the major contributors to tight binding of AcrB.

Enantioselective Reduction of Ketones and Synthesis of 2-Methyl-2,3-dihydro-1-benzofuran Catalyzed by Chiral Spiroborate Ester

Chopade, A. U.,Chopade, M. U.,Nikalje, M. D.,Patil, H. S.

, p. 611 - 618 (2021/06/02)

Abstract: Asymmetric reduction of homobenzylic ketones was achieved through the use of chiral spiroborate ester catalyst. The catalyst is applicable for both analytical and industrial purposes since it is not sensitive to air and moisture. A rapid synthetic route has been developed for the preparation of (S)-2-methyl-2,3-dihydro-1-benzofuran via enantioselective reduction of homobenzylic ketone in the presence of a chiral spiroborate catalyst as the key step.

Improved Synthesis of MediPhos Ligands and Their Use in the Pd-Catalyzed Enantioselective N-Allylation of Glycine Esters

Albat, Dominik,Neud?rfl, J?rg-Martin,Reiher, Martin,Schmalz, Hans-Günther

supporting information, p. 4237 - 4242 (2021/08/24)

A new class of chiral C2-symmetric diphosphines (MediPhos) was recently shown to give superior results in the Pd-catalyzed asymmetric N-allylation of amino acid esters. We here describe a new, improved protocol for the preparation of such ligands through bidirectional SN2-coupling of a tartrate-derived ditosylate with 6-alkyl-2-bromophenols followed by double lithiation/phosphanylation. This method gave access to a series of nine ligands with branched alkyl substituents, which were benchmarked in the enantioselective Pd-catalyzed N-allylation of tert-butyl glycinate with racemic (E)-2,8-dimethylnona-5-en-4-yl methyl carbonate (up to 95 % ee). In addition, the analogous transformation of tert-butyl glycinate with methyl (E)-nona-5-en-4-yl carbonate was optimized. The obtained allylic amines were then used in the stereoselective synthesis of the conformationally restricted proline-derived dipeptide analogs ProM-17 and ProM-21.

Tetrahydroquinazoline derivatives and pharmaceutical composition for preventing or treating psoriasis comprising the same

-

Paragraph 0272-0276, (2020/11/06)

The present invention relates to a tetrahydroquinazoline derivative and a pharmaceutical composition for preventing or treating psoriasis containing the same as an active ingredient. The compound provided in one aspect of the present invention has an effe

Catalyst-free photodecarbonylation ofortho-amino benzaldehyde

Li, Lamei,Wang, Songping,Wei, Wentao,Yan, Ming,Zhou, Jingwei

supporting information, p. 3421 - 3426 (2020/06/25)

It is almost a consensus that decarbonylation of the aldehyde group (-CHO) needs to not only be mediated by transition metal catalysts, but also requires severe reaction conditions (high temperature and long reaction time). In this work, inspired by the “conformational-selectivity-based” design strategy, we broke this consensus and discovered a catalyst-free photodecarbonylation of the aldehyde group. It revealed that decarbonylation can be easily achieved with visible light irradiation by introducing a tertiary amine into theortho-position of the aldehyde group. A diverse array of tertiary amines is tolerated by our photodecarbonylation under mild conditions. Furthermore, the (QM) computations of the mechanism and the experiments on well-designed special substrates revealed that our photodecarbonylation depends on the conformational specificity of the aldehyde group and tertiary amine, and occurs through an unusual [1,4]-H shift and a subsequent [1,3]-H shift.

Design, synthesis and biological evaluation of dimethyl cardamonin (DMC) derivatives as P-glycoprotein-mediated multidrug resistance reversal agents

Liu, Jianwen,Ma, Lei,Shi, Ximeng,Yin, Huanhuan,Zhao, Yuyu,Zhou, Licheng

, p. 1270 - 1282 (2020/10/06)

Background: P-glycoprotein (P-gp) has been regarded as an important factor in the multidrug resistance (MDR) of tumor cells within the last decade, which can be solved by inhibiting P-gp to reverse MDR. Thus, it is an effective strategy to develop inhibitor of P-gp. Objective: In this study, the synthesis of a series of derivatives had been carried out by bioisosterism design on the basis of Dimethyl Cardamonin (DMC). Subsequently, we evaluated their reversal activities as potential P-glycoprotein (P-gp)-mediated Multidrug Resistance (MDR) agents. Methods: Dimethyl cardamonin derivatives were synthesized from acetophenones and the corresponding benzaldehydes in the presence of 40% KOH by Claisen-Schmidt reaction. Their cytotoxicity and reversal activities in vitro were assessed with MTT. Moreover, the compound B4 was evaluated by Doxorubicin (DOX) accumulation, Western blot and wound-healing assays deeply. Results and Discussion: The results showed that compounds B2, B4 and B6 had the potency of MDR reversers with little intrinsic cytotoxicity. Meanwhile, these compounds also demonstrated the capability to inhibit MCF-7 and MCF-7/DOX cells migration. Besides, the most compound B4 was selected for further study, which promoted the accumulation of DOX in MCF-7/DOX cells and inhibited the expressionof P-gp at protein levels. Conclusion: The above findings may provide new insights for the research and development of P-gp-mediated MDR reversal agents.

Synthetic studies towards the penicisulfuranols: Synthesis of an advanced spirocyclic diketopiperazine intermediate

Gayler, Kevin M.,Lambert, Kyle M.,Wood, John L.

supporting information, p. 3154 - 3159 (2019/01/29)

The 2,5-diketopiperazine (DKP) moiety is a core feature of many natural products and medicinally relevant scaffolds. As part of our efforts directed towards a total synthesis of penicisulfuranol B, we have developed and report herein: (1) the preparation of an N-hydroxy diketopiperazine intermediate accessible via a molybdenum-mediated oxidation of a parent diketopiperazine, and (2) further synthetic studies leading to a novel spirocyclic dihydrobenzofuran-containing diketopiperazine.

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