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613-69-4

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613-69-4 Usage

Chemical Properties

clear yellow to light brown liquid

Uses

2-Ethoxybenzaldehyde was used to study the 1,3-dipolar cycloaddition reactions.

Synthesis Reference(s)

Synthetic Communications, 19, p. 3407, 1989 DOI: 10.1080/00397918908052747

Check Digit Verification of cas no

The CAS Registry Mumber 613-69-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,1 and 3 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 613-69:
(5*6)+(4*1)+(3*3)+(2*6)+(1*9)=64
64 % 10 = 4
So 613-69-4 is a valid CAS Registry Number.
InChI:InChI=1/C18H17N3/c1-21(2)18-11-9-16(10-12-18)19-20-17-8-7-14-5-3-4-6-15(14)13-17/h3-13H,1-2H3/b20-19+

613-69-4 Well-known Company Product Price

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  • Alfa Aesar

  • (A15035)  2-Ethoxybenzaldehyde, 97+%   

  • 613-69-4

  • 50g

  • 636.0CNY

  • Detail
  • Alfa Aesar

  • (A15035)  2-Ethoxybenzaldehyde, 97+%   

  • 613-69-4

  • 100g

  • 733.0CNY

  • Detail
  • Alfa Aesar

  • (A15035)  2-Ethoxybenzaldehyde, 97+%   

  • 613-69-4

  • 250g

  • 1713.0CNY

  • Detail

613-69-4SDS

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-Ethoxybenzaldehyde

1.2 Other means of identification

Product number -
Other names o-Ethoxybenzaldehyde

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:613-69-4 SDS

613-69-4Relevant articles and documents

C70Fullerene Catalyzed Photoinduced Aerobic Oxidation of Benzylamines to Imines and Aldehydes

Kumar, Inder,Kumar, Rakesh,Gupta, Shiv Shankar,Sharma, Upendra

supporting information, p. 6449 - 6457 (2021/05/29)

C70 fullerene catalyzed photoinduced oxidation of benzylic amines at ambient conditions has been explored here. The developed strategy's main feature includes the additive/oxidant-free conversion of benzylic amine to corresponding imine and aldehydes. The reaction manifests broad substrate scope with excellent function group leniency and is applicable up to the gram scale. Further, symmetrical secondary amines can also be synthesized from benzylic amine in a one-pot two-step process. Various experiments and density functional theory studies revealed that the current reaction involves the generation of reactive oxygen species, single electron transfer reaction, and benzyl radical formation as key steps under photocatalytic conditions.

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.

Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics

Hussein, Waleed M.,Feder, Daniel,Schenk, Gerhard,Guddat, Luke W.,McGeary, Ross P.

, p. 462 - 479 (2018/08/21)

Purple acid phosphatases (PAPs) are metalloenzymes that catalyse the hydrolysis of phosphate esters under acidic conditions. Their active site contains a Fe(III)Fe(II) metal centre in mammals and a Fe(III)Zn(II) or Fe(III)Mn(II) metal centre in plants. In humans, elevated PAP levels in serum strongly correlate with the progression of osteoporosis and metabolic bone malignancies, which make PAP a target suitable for the development of chemotherapeutics to combat bone ailments. Due to difficulties in obtaining the human enzyme, the corresponding enzymes from red kidney bean and pig have been used previously to develop specific PAP inhibitors. Here, existing lead compounds were further elaborated to create a series of inhibitors with Ki values as low as ~30 μM. The inhibition constants of these compounds were of comparable magnitude for pig and red kidney bean PAPs, indicating that relevant binding interactions are conserved. The crystal structure of red kidney bean PAP in complex with the most potent inhibitor in this series, compound 4f, was solved to 2.40 ? resolution. This inhibitor coordinates directly to the binuclear metal centre in the active site as expected based on its competitive mode of inhibition. Docking simulations predict that this compound binds to human PAP in a similar mode. This study presents the first example of a PAP structure in complex with an inhibitor that is of relevance to the development of anti-osteoporotic chemotherapeutics.

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