2417-70-1

Basic information

• Product Name: 1-BROMOMETHYL-2-ETHOXY-BENZENE
• Synonyms: 1-BROMOMETHYL-2-ETHOXY-BENZENE
• CAS NO: 2417-70-1
• Molecular Formula: C₉H₁₁BrO
• Molecular Weight: 215.08704
• Mol File: 2417-70-1.mol

Chemical Properties

• Boiling Point: 246.7°C at 760 mmHg
• Flash Point: 97.7°C
• Appearance: /
• Density: 1.349g/cm³
• Vapor Pressure: 0.0421mmHg at 25°C
• Refractive Index: 1.542
• CAS DataBase Reference: 1-BROMOMETHYL-2-ETHOXY-BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BROMOMETHYL-2-ETHOXY-BENZENE(2417-70-1)
• EPA Substance Registry System: 1-BROMOMETHYL-2-ETHOXY-BENZENE(2417-70-1)

Safety Data

• Hazardous Substances Data: 2417-70-1(Hazardous Substances Data)

Usage

Physical state

Colorless to pale yellow liquid

Odor

Sweet, fruity

Uses

a. Intermediate in the manufacture of pharmaceuticals
b. Intermediate in the production of agrochemicals
c. Intermediate in the synthesis of other organic compounds
d. Solvent in chemical reactions
e. Raw material in the production of fragrances and flavors

Hazard classification

Classified as a hazardous substance

Safety precautions

a. Potential for causing skin and eye irritation
b. Potential for causing respiratory problems if inhaled
c. Should be handled with care

InChI:InChI=1/C9H11BrO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2,7H2,1H3

Upstream product

• 71672-75-8 2-ethoxybenzyl alcohol 
• 614-71-1 2-ethoxytoluene 
• 613-69-4 2-ethoxylbenzaldehyde 

Downstream Products

• 256418-90-3 (3S,4R)-1-(tert-butyldimethylsilyl)-3-(2-ethoxybenzyl)-2-oxoazetidine-4-carboxylic acid 
• 868616-83-5 6-[1-(2-ethoxyphenyl)methyl-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-2,5-hexdienoic acid 
• 1369355-68-9 6-[1-(2-ethoxyphenyl)methyl-1H-pyrrol-2-yl]-2-hydroxy-4-oxo-2,5-hexdienoic acid ethyl ester 
• 897770-46-6 1-(2-ethoxy-benzyl)-1H-pyrrole-2-carbaldehyde 
• 1075177-75-1 Br^(1-)*C₂₇H₂₆OP⁽¹⁺⁾ 
• 94-71-3 2-Ethoxyphenol 
• 1447797-38-7 diethyl 2-(2-ethoxybenzyl)-2-propylmalonate 
• 724437-48-3 C₁₇H₁₇NO₃ 
• 1253188-00-9 N-(1-{[2-(ethyloxy)phenyl]methyl}-1H-pyrazol-3-yl)-2,6-difluorobenzamide 

Relevant articles and documents

HETEROCYCLIC INHIBITORS OF MCT4

Disclosed herein are compounds and compositions useful in the treatment of MCT4 mediated diseases, such as proliferative and inflammatory diseases, having the structure of Formula I: Methods of inhibition MCT4 activity in a human or animal subject are also provided.

Design, synthesis and neuroprotective activities of novel cinnamide derivatives containing benzylpiperazine moiety

A new series of cinnamide derivatives 6a–l were synthesized by the reaction of acyl chlorides with various substituted benzylpiperazines. The structures were characterized by 1H NMR, 13C NMR, and HRMS. The potential neuroprotective activities of cinnamide analogs were evaluated in differentiated rat pheochromocytoma cells (PC12 cells) and in mice subjected to acute cerebral ischemia. Among the series, 6a, 6b, and 6c, featuring a 1,3-benzodioxole moiety, showed potent neuroprotection both in vivo and in vitro. The three compounds were selected and further studied to determine their mechanism of action. MTT assay, Hoechst 33342/PI double staining, and high content screening (HCS) revealed that pretreatment of the cells with 6a, 6b, and 6c has significantly decreased the extent of cell apoptosis in a dose-dependent manner. The results of western blot analysis demonstrated these compounds suppressed apoptosis of glutamate-induced PC12 cells via caspase-3 pathway. These compounds can be lead compounds for further discovery of neuroprotective agents for treating cerebral ischemic stroke.

One-Step Synthesis of Substituted Benzofurans from ortho- Alkenylphenols via Palladium-Catalyzed C=H Functionalization

A dehydrogenative oxygenation of C(sp2)=H bonds with intramolecular phenolic hydroxy groups has been developed, which provides a straightforward and concise access to structurally diversely benzofurans from ortho-alkenylphenols. The reaction is catalyzed by palladium on carbon (Pd/C) without any oxidants and sacrificing hydrogen acceptors.

Discovery and structural optimization of 4-(4-(benzyloxy)phenyl)-3,4-dihydropyrimidin-2(1H)-ones as RORc inverse agonists

Aim: Retinoic acid receptor-related orphan nuclear receptors (RORs) are orphan nuclear receptors that show constitutive activity in the absence of ligands. Among 3 subtypes of RORs, RORc is a promising therapeutic target for the treatment of Th17-mediated autoimmune diseases. Here, we report novel RORc inverse agonists discovered through structure-based drug design. Methods: Based on the structure of compound 8, a previously described agonist of RORa, a series of 4-(4-(benzyloxy)phenyl)-3,4-dihydropyrimidin-2(1H)-one derivatives were designed and synthesized. The interaction between the compounds and RORc was detected at molecular level using AlphaScreen assay. The compounds were further examined in 293T cells transfected with RORc and luciferase reporter gene. Thermal stability shift assay was used to evaluate the effects of the compounds on protein stability. Results: A total of 27 derivatives were designed and synthesized. Among them, the compound 22b was identified as the most potent RORc inverse agonist. Its IC50 values were 2.39 μmol/L in AlphaScreen assay, and 0.82 μmol/L in inhibition of the cell-based luciferase reporter activity. Furthermore, the compound 22b displayed a 120-fold selectivity for RORc over other nuclear receptors. Moreover, a molecular docking study showed that the structure-activity relationship was consistent with the binding mode of compound 22b in RORc. Conclusion: 4-(4-(Benzyloxy)phenyl)-3,4-dihydropyrimidin-2(1H)-one derivatives are promising candidates for the treatment of Th17-mediated autoimmune diseases, such as rheumatoid arthritis, psoriasis, and multiple sclerosis.

Synthesis and biological evaluation of aryloxyacetamide derivatives as neuroprotective agents

A series of new aryloxyacetamide derivatives 10a-s and 14a-m are designed and synthesized. Their protective activities against the glutamate-induced cell death were investigated in differentiated rat pheochromocytoma cells (PC12 cells). Most compounds exhibited neuroprotective effects, especially for 10m, 10r, 14b and 14c, which showed potential protection of PC12 cells at three doses (0.1, 1.0, 10 μM). MTT assay, Hoechst 33342/PI double staining, and high content screening (HCS) revealed that pretreatment of the cells with 10m, 10r, 14b and 14c has significantly decreased the extent of cell apoptosis in a dose-dependent manner. The results of western blot analysis demonstrated these compounds suppressed apoptosis of glutamate-induced PC12 cells via caspase-3 pathway. These compounds can be lead compounds for further discovery of neuroprotective agents for treating cerebral ischemic stroke. Basic structure-activity relationships are also presented.

PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS

The present invention relates to amide compounds of formula (I) processes for their preparation, intermediates usable in these processes, pharmaceutical compositions containing these compounds and to their use in therapy.

N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS

The present invention relates to amide compounds, processes for their preparation, pharmaceutical compositions containing these compounds and to their use in the treatment of disorders, conditions or disorders such as allergic disorders, inflammatory disorders and disorders of the immune system.