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Benzenepropanoic acid, α,β,4-tribromo, ethyl ester is a chemical compound that features a benzene ring with three bromine atoms at the α, β, and 4 positions, and an ethyl ester group. It is commonly utilized as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and has potential applications in medicinal chemistry and drug development due to its unique structure and properties.

952569-45-8

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952569-45-8 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
Benzenepropanoic acid, α,β,4-tribromo, ethyl ester is used as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure allows it to be a valuable building block for the development of new drugs and pesticides.
Used in Medicinal Chemistry and Drug Development:
Due to its distinctive chemical properties, Benzenepropanoic acid, α,β,4-tribromo, ethyl ester is employed as a component in medicinal chemistry research and drug development. It can be used to create new compounds with potential therapeutic effects.
Used as a Reagent in Organic Synthesis:
Benzenepropanoic acid, α,β,4-tribromo, ethyl ester can also be utilized as a reagent in organic synthesis and other chemical reactions, contributing to the formation of complex organic molecules.
Safety Precautions:
It is crucial to handle Benzenepropanoic acid, α,β,4-tribromo, ethyl ester with care due to its hazardous nature and potential health risks. Proper safety measures should be taken to minimize exposure and ensure the well-being of those working with Benzenepropanoic acid, .alpha.,.beta.,4-tribroMo-, ethyl ester.

Check Digit Verification of cas no

The CAS Registry Mumber 952569-45-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,5,2,5,6 and 9 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 952569-45:
(8*9)+(7*5)+(6*2)+(5*5)+(4*6)+(3*9)+(2*4)+(1*5)=208
208 % 10 = 8
So 952569-45-8 is a valid CAS Registry Number.

952569-45-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Benzenepropanoic acid, α,β,4-tribromo-, ethyl ester

1.2 Other means of identification

Product number -
Other names ETHYL 2,3-DIBROMO-3-(4-BROMOPHENYL)PROPANOATE

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:952569-45-8 SDS

952569-45-8Relevant academic research and scientific papers

Practical asymmetric hydrogenation-based synthesis of a class-selective histone deacetylase inhibitor

Chen, Junli,Chen, Tianqi,Hu, Qiupeng,Puntener, Kurt,Ren, Yi,She, Jin,Du, Zhengming,Scalone, Michelangelo

, p. 1702 - 1713 (2015/02/02)

Two syntheses of the class-selective histone deacetylase inhibitor 1 are reported. In the first, eight-step entailing synthesis, the key transformations were a highly efficient [3 + 2] dipolar cycloaddition affording trans-rac-5 and its resolution. In the

Organocatalysis as a safe practical method for the stereospecific dibromination of unsaturated compounds

Hernandez-Torres, Gloria,Tan, Bin,Barbas, Carlos F.

supporting information; experimental part, p. 1858 - 1861 (2012/06/18)

Organocatalytic stereospecific dibromination of a wide variety of functionalized alkenes was achieved using a stable, inexpensive halogen source, 1,3-dibromo 5,5-dimethylhydantoin, and a simple thiourea catalyst at room temperature. The presence of a tertiary amine enhanced the rate of the dibromination reaction, and yields were good in various solvents, including aqueous solvents. The procedure was extended to alkynes and aromatic rings and to dichlorination reactions by using the 1,3-dichloro hydantoin derivative.

Transmission of substituent effects through extended systems-III. p-Substituted ethyl trans cinnamates and phenylpropiolates

Butt, G.,Topsom, R. D.

, p. 649 - 654 (2007/10/02)

Infrared data and 13C chemical shifts are reported for a series of ethyl p-substituted trans-cinnamates and ethyl phenylpropiolates.The i.r. values include intensities for the benzene, ethylene and carbonyl vibrations which allow an estimation of resonance effects.The relative importance of the various mechanisms of transmission of substituent effects are discussed and compared to those previously reported for p-substituted trans cinnamonitriles.It is shown that the carbon-carbon triple bond is less efficient in transmitting substituent effects than carbon-carbon double bonds.

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