198226-53-8

Basic information

• Product Name: (R)-2-chloro-6-(oxiran-2-ylMethoxy)benzonitrile
• Synonyms: (R)-2-chloro-6-(oxiran-2-ylMethoxy)benzonitrile
• CAS NO: 198226-53-8
• Molecular Formula: C₁₀H₈ClNO₂
• Molecular Weight: 209.62902
• Mol File: 198226-53-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 377.0±22.0 °C(Predicted)
• Appearance: /
• Density: 1.35±0.1 g/cm3(Predicted)
• CAS DataBase Reference: (R)-2-chloro-6-(oxiran-2-ylMethoxy)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-2-chloro-6-(oxiran-2-ylMethoxy)benzonitrile(198226-53-8)
• EPA Substance Registry System: (R)-2-chloro-6-(oxiran-2-ylMethoxy)benzonitrile(198226-53-8)

Safety Data

• Hazardous Substances Data: 198226-53-8(Hazardous Substances Data)

Usage

General Description

(R)-2-chloro-6-(oxiran-2-ylMethoxy)benzonitrile is a chemical compound with the molecular formula C10H8ClNO2. It is a white crystalline solid with a molecular weight of 217.63 g/mol. (R)-2-chloro-6-(oxiran-2-ylMethoxy)benzonitrile is used in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is also used as an intermediate in the production of various fine chemicals. Additionally, it has potential applications in the field of material science and as a building block in organic synthesis. The presence of chlorine, oxiran, and benzonitrile functional groups makes it a versatile compound for various chemical reactions and transformations. Overall, (R)-2-chloro-6-(oxiran-2-ylMethoxy)benzonitrile is a valuable chemical with versatile applications in different fields.

Upstream product

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• 867040-04-8 (+/-)-2-chloro-6-(3-chloro-2-hydroxypropoxy)benzonitrile 
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• 67843-74-7 (S)-epichlorohydrin 

Relevant articles and documents

Design, synthesis, and antibacterial evaluation of novel derivatives of NPS-2143 for the treatment of methicillin-resistant S. aureus (MRSA) infection

Methicillin-resistant Staphylococcus aureus (MRSA) infections are a significant global health challenge due to the emergence of strains exhibiting resistance to nearly all classes of antibiotics. This necessitates the rapid development of novel antimicrobials to circumvent this critical problem. Screening of compounds based on phenotypes is one of the major strategies for finding new antibiotics at present. Hence, we here performed a phenotypic screening against MRSA and identified NPS-2143 exhibiting activity against MRSA with an MIC value of 16 μg ml?1. In order to discover more potent anti-MRSA agents, a series of derivatives of NPS-2143 were designed and synthesized. The most promising compounds 48 and 49 exhibited favorable antimicrobial activity with an MIC value of 2 μg ml?1.

Antagonists of the calcium receptor I. Amino alcohol-based parathyroid hormone secretagogues

Functional screening of the former SmithKline Beecham compound collection against the human calcium receptor (CaR) resulted in the identification of the amino alcohol-based hit 2 (IC50 = 11 μM). Structure-activity studies of 2 focused on the optimization of the right- and left-hand side aromatic moieties as well as the amino alcohol linker region. Critical to the optimization of this antagonist template was the discovery that the chirality of the C-2 secondary alcohol played a key role in enhancing both CaR potency as well as selectivity over the β-adrenergic receptor subtypes. These SAR studies ultimately led to the identification of 38 (NPS 2143; SB-262470A), a potent and orally active CaR antagonist. Pharmacokinetic characterization of 38 in the rat revealed that this molecule had a large volume of distribution (11 L/kg), which resulted in a prolonged systemic exposure, protracted increases in the plasma levels of PTH, and an overall lack of net bone formation effect in a rodent model of osteoporosis.

Discovery and structure-activity relationships of 2-benzylpyrrolidine- substituted aryloxypropanols as calcium-sensing receptor antagonists

A structure-activity relationship study of the amine portion of the calcilytic compound NPS-2143 resulted in the discovery of substituted 2-benzylpyrrolidines as replacements for the 1,1-dimethyl-2-naphthalen-2-yl- ethylamine. When compared to NPS-2143, a