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3-(3',5'-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE, a chemical compound with the molecular formula C12H11NO4, is a nitrile derivative of 3,4,5-trimethoxybenzaldehyde. It serves as a versatile building block in organic synthesis for the preparation of pharmaceuticals and agrochemicals. 3-(3',5'-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE has shown potential biological activity, such as antifungal and anti-inflammatory properties, and is being studied for its therapeutic potential. Due to its potential health and environmental risks, it is crucial to handle this chemical with care.

70988-04-4

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70988-04-4 Usage

Uses

Used in Pharmaceutical Industry:
3-(3',5'-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE is used as a key intermediate in the synthesis of various pharmaceuticals for its potential biological activity, including antifungal and anti-inflammatory properties. It aids in the development of new therapeutic agents.
Used in Agrochemical Industry:
3-(3',5'-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE is used as a building block in the creation of agrochemicals, leveraging its potential to contribute to the development of effective and novel compounds for agricultural applications.
Used in Organic Synthesis:
3-(3',5'-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE is utilized as a synthetic building block for the preparation of a wide range of organic compounds, highlighting its versatility in chemical reactions and its potential to form complex molecular structures.

Check Digit Verification of cas no

The CAS Registry Mumber 70988-04-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,0,9,8 and 8 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 70988-04:
(7*7)+(6*0)+(5*9)+(4*8)+(3*8)+(2*0)+(1*4)=154
154 % 10 = 4
So 70988-04-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H11NO3/c1-14-9-5-8(11(13)3-4-12)6-10(7-9)15-2/h5-7H,3H2,1-2H3

70988-04-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile

1.2 Other means of identification

Product number -
Other names 3,5-Dimethoxybenzoylacetonitrile

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:70988-04-4 SDS

70988-04-4Relevant academic research and scientific papers

Palladium-Catalyzed Carbonylative α-Arylation of tert -Butyl Cyanoacetate with (Hetero)aryl Bromides

Jensen, Mikkel T.,Juhl, Martin,Nielsen, Dennis U.,Jacobsen, Mikkel F.,Lindhardt, Anders T.,Skrydstrup, Troels

, p. 1358 - 1366 (2016/03/01)

A three-component coupling protocol has been developed for the generation of 3-oxo-3-(hetero)arylpropanenitriles via a carbonylative palladium-catalyzed α-arylation of tert-butyl 2-cyanoacetates with (hetero)aryl bromides followed by an acid-mediated decarboxylation step. Through the combination of only a stoichiometric loading of carbon monoxide and mild basic reaction conditions such as MgCl2 and dicyclohexylmethylamine for the deprotonation step, an excellent functional group tolerance was ensured for the methodology. Through the use of 13C-labeled carbon monoxide generated from 13COgen, the corresponding 13C-isotopically labeled β-ketonitriles were obtained, and these products could subsequently be converted into cyanoalkynes and 3-cyanobenzofurans with site specific 13C-isotope labeling. (Chemical Equation Presented).

Design, synthesis, and evaluation of 2-aryl-7-(3′,4′-dialkoxyphenyl)-pyrazolo[1,5-a]pyrimidines as novel PDE-4 inhibitors

Kim, Ikyon,Song, Jong Hwan,Park, Chang Min,Jeong, Joon Won,Kim, Hyung Rae,Ha, Jin Ryul,No, Zaesung,Hyun, Young-Lan,Cho, Young Sik,Sook Kang, Nam,Jeon, Dong Ju

scheme or table, p. 922 - 926 (2010/06/22)

Described herein is design, synthesis, and biological evaluation of novel series of 2-aryl-7-(3′,4′-dialkoxyphenyl)-pyrazolo[1,5-a]pyrimidines acting as inhibitors of type 4 phosphodiesterase (PDE4) which is known as a good target for the treatment of asthma and COPD. For this purpose, structure optimization was conducted with the aid of structure-based drug design using the known X-ray crystallography. Also, biological effects of these compounds on the target enzyme were evaluated by using in vitro assays, leading to the potent and selective PDE-4 inhibitor (IC50 10 nM).

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