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3-BROMOMETHYL-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER is a chemical compound with the molecular formula C12H11BrO3. It is an ester derivative of benzofuran-2-carboxylic acid with a bromomethyl group attached to the benzene ring. 3-BROMOMETHYL-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER is commonly used in organic synthesis and medicinal chemistry as a building block for the preparation of various biologically active molecules.

29115-34-2

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29115-34-2 Usage

Uses

Used in Organic Synthesis:
3-BROMOMETHYL-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER is used as a building block in organic synthesis for the preparation of various biologically active molecules. Its unique structure and functional groups make it a versatile compound for creating complex organic molecules.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-BROMOMETHYL-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER is used as a precursor for the synthesis of pharmaceuticals. Its ethyl ester group allows for various reactions, making it suitable for the development of new drugs with potential therapeutic applications.
Used in Pharmaceutical Production:
3-BROMOMETHYL-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER serves as an intermediate in the production of pharmaceuticals. Its presence in the synthesis process contributes to the development of new medications with improved efficacy and reduced side effects.
Used in Agrochemical Production:
3-BROMOMETHYL-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER is also utilized in the production of agrochemicals, where it acts as an intermediate for the synthesis of various agrochemical products. Its role in this industry is crucial for the development of effective and environmentally friendly solutions for agricultural applications.

Check Digit Verification of cas no

The CAS Registry Mumber 29115-34-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,9,1,1 and 5 respectively; the second part has 2 digits, 3 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 29115-34:
(7*2)+(6*9)+(5*1)+(4*1)+(3*5)+(2*3)+(1*4)=102
102 % 10 = 2
So 29115-34-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H11BrO3/c1-2-15-12(14)11-9(7-13)8-5-3-4-6-10(8)16-11/h3-6H,2,7H2,1H3

29115-34-2SDS

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 Ethyl 3-(bromomethyl)-1-benzofuran-2-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 3-(bromomethyl)benzofuran-2-carboxylate

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:29115-34-2 SDS

29115-34-2Relevant academic research and scientific papers

Development of 3-methyl/3-(morpholinomethyl)benzofuran derivatives as novel antitumor agents towards non-small cell lung cancer cells

Al-Sanea, Mohammad M.,Al-Ansary, Ghada H.,Elsayed, Zainab M.,Maklad, Raed M.,Elkaeed, Eslam B.,Abdelgawad, Mohamed A.,Bukhari, Syed Nasir Abbas,Abdel-Aziz, Marwa M.,Suliman, Howayda,Eldehna, Wagdy M.

, p. 987 - 999 (2021/05/21)

As one of the most lethal malignancies, lung cancer is considered to account for approximately one-fifth of all malignant tumours-related deaths worldwide. This study reports the synthesis and in?vitro biological assessment of two sets of 3-methylbenzofurans (4a–d, 6a–c, 8a–c and 11) and 3-(morpholinomethyl)benzofurans (15a–c, 16a–b, 17a–b and 18) as potential anticancer agents towards non-small cell lung carcinoma A549 and NCI-H23 cell lines, with VEGFR-2 inhibitory activity. The target benzofuran-based derivatives efficiently inhibited the growth of both A549 and NCI-H23 cell lines with IC50 spanning in ranges 1.48–47.02 and 0.49–68.9 μM, respectively. The three most active benzofurans (4b, 15a and 16a) were further investigated for their effects on the cell cycle progression and apoptosis in A549 (for 4b) and NCI-H23 (for 15a and 16a) cell lines. Furthermore, benzofurans 4b, 15a and 16a displayed good VEGFR-2 inhibitory activity with IC50 equal 77.97, 132.5 and 45.4 nM, respectively.

Synthesis and biological evaluation of novel 2,3-disubstituted benzofuran analogues of GABA as neurotropic agents

Coaviche-Yoval, Arturo,Luna, Héctor,Soriano-Ursúa, Marvin A.,Tovar-Miranda, Ricardo,Trujillo-Ferrara, José G.

, p. 77 - 86 (2019/07/12)

Background: Benzofurans are heterocyclic compounds with neurotropic activity. Some have been developed for the treatment of acute and degenerative neuronal injuries. Objective: The study aimed to evaluate the in silico binding of some promising benzofurans on the GABA receptors, and the in vivo neurotropic activity of benzofuran analogues (BZF 6-10) of gamma-aminobutyric acid (GABA) on a seizure model. Methods: The ligands with the best physicochemical attributes were docked on two GABA receptors (the alpha-1 subunit of GABAA-R and GBR1 subunit of GABAB-R). Selected benzofuran derivatives were synthesized by a multistep procedure and characterized. To examine the neurotropic effects, mice were pretreated with different concentrations of the compounds prior to PTZ- or 4- AP-induced seizures. We assessed acute toxicity, motor behavior, and the effects on seizures. Results: The tested ligands that complied with Lipinski’s rule of five were tested in silico with GABAA-R (δG = -5.51 to -5.84 kcal/mol) at the allosteric site for benzodiazepines. They bound to a similar cluster of residues as the reference compound (gaboxadol, δG = -5.51 kcal/mol). Synthesis was achieved with good overall yields (42-9.7percent). Two compounds were selected for biological tests (BZF-7 and rac-BZF-10) on a mouse model of seizures, induced by pentylenetetrazol (PTZ) or 4-aminopyridine (4-AP). PTZ-induced seizures are associated with GABA receptors, and those 4-AP-induced with the blockage of the delayed rectifier-type potassium channel, which promotes the release of the NMDA-sensitive glutamatergic ionotropic receptor and other neurotransmitters. The biological assays demonstrated that BZF-7 and rac-BZF-10 do not protect against seizures. Indeed, BZF-7 increased the number of PTZ-induced seizures and decreased latency time. The 4-AP model apparently showed a potentiation of seizure effects after administration of the BZF-analogues, evidenced by the incidence and severity of the seizures and reduced latency time. Conclusion: The results suggest that the test compounds are GABAergic antagonists with stimulatory activity on the CNS.

Quantum reality in the selective reduction of a benzofuran system

Coaviche-Yoval, Arturo,Andrade-Jorge, Erik,Pérez-González, Cuauhtémoc,Luna, Héctor,Tovar-Miranda, Ricardo,Trujillo-Ferrara, José G.

, (2019/06/13)

Two 2,3-disubstituted benzofurans (1 and 2), analogs of gamma-aminobutyric acid (GABA), were synthesized to obtain their 2,3-dihydro derivatives from the Pd/C-driven catalytic reduction of the double bond in the furanoid ring. The synthesis produced surprising by-products. Therefore, theoretical calculations of global and local reactivity were performed based on Pearson's hard and soft acids and bases (HSAB) principle to understand the regioselectivity that occurred in the reduction of the olefinic carbons of the compounds. Local electrophilicity (ωk) was the most useful parameter for explaining the selectivity of the polar reactions. This local parameter was defined with the condensed Fukui function and redefined with the electrophilic (Pk+) Parr function. The similar patterns of both resulting sets of values helped to demonstrate the electrophilic behavior (soft acid) of the olefinic carbons in these compounds. The theoretical calculations, nuclear magnetic resonance, and resonance hybrids showed the moieties in each compound that are most susceptible to reduction.

INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE

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Page/Page column 65, (2011/04/18)

The present invention relates to novel heterocyclic compounds as diacylglycerol acyltransferase (DGAT) inhibitors, pharmaceutical compositions comprising the heterocyclic compounds and the use of the compounds for treating or preventing a cardiovascular disease, a metabolic disorder, obesity or an obesity-related disorder, diabetes, dyslipidemia, a diabetic complication, impaired glucose tolerance or impaired fasting glucose. An illustrative compound of the invention is shown below:

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