70751-30-3

Basic information

• Product Name: 2-(2-methoxyphenyl)-3-oxobutyronitrile
• Synonyms: 2-(2-methoxyphenyl)-3-oxobutyronitrile;2-(2-Methoxyphenyl)-3-oxobutanenitrile;α-Acetyl-2-methoxybenzeneacetonitrile
• CAS NO: 70751-30-3
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.21054
• EINECS: 274-847-1
• Mol File: 70751-30-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 291.4°C at 760 mmHg
• Flash Point: 125.7°C
• Appearance: /
• Density: 1.109g/cm³
• Vapor Pressure: 0.00195mmHg at 25°C
• Refractive Index: 1.518
• CAS DataBase Reference: 2-(2-methoxyphenyl)-3-oxobutyronitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-methoxyphenyl)-3-oxobutyronitrile(70751-30-3)
• EPA Substance Registry System: 2-(2-methoxyphenyl)-3-oxobutyronitrile(70751-30-3)

Safety Data

• Hazardous Substances Data: 70751-30-3(Hazardous Substances Data)

Usage

Nitrile compound

Carbon-nitrogen triple bond This chemical contains a triple bond between a carbon and nitrogen atom, which is characteristic of nitrile compounds.

3-Oxobutyronitrile portion

Three-carbon chain with a ketone (C=O) and a nitrile (C≡N) functional group The molecule has a three-carbon chain with both a ketone and a nitrile functional group, which influences its reactivity and potential applications in organic synthesis.

Organic synthesis

Potential use in the production of pharmaceuticals or other industrial products 2-(2-methoxyphenyl)-3-oxobutyronitrile may be utilized as an intermediate in the synthesis of various organic compounds, including pharmaceuticals and other industrial products.

InChI:InChI=1/C11H11NO2/c1-8(13)10(7-12)9-5-3-4-6-11(9)14-2/h3-6,10H,1-2H3

Upstream product

• 7035-03-2 2-methoxy-benzeneacetonitrile 
• 141-78-6 ethyl acetate 
• 75-36-5 acetyl chloride 

Downstream Products

• 5211-62-1 1-(2-methoxyphenyl)propan-2-one 
• 130223-71-1 2-Methyl-3-(o-methoxyphenyl)-4(1H)-benzoquinolinone 
• 895010-58-9 5-amino-3-methyl-4-(2-methoxyphenyl)-1Н-pyrazole 
• 897769-55-0 7-chloro-3-(2-methoxy-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine 
• 895837-56-6 3-(2-methoxy-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol 
• 93-30-1 methoxyphenamine 
• 895010-58-9 3-amino-5-methyl-4-(2-methoxyphenyl)-1Н-pyrazole 

Relevant articles and documents

Stereoselective C?C Oxidative Coupling Reactions Photocatalyzed by Zwitterionic Ligand Capped CsPbBr3 Perovskite Quantum Dots

Semiconductor quantum dots (QDs) have attracted tremendous attention in the field of photocatalysis, owing to their superior optoelectronic properties for photocatalytic reactions, including high absorption coefficients and long photogenerated carrier lifetimes. Herein, by choosing 2-(3,4-dimethoxyphenyl)-3-oxobutanenitrile as a model substrate, we demonstrate that the stereoselective (>99 %) C?C oxidative coupling reaction can be realized with a high product yield (99 %) using zwitterionic ligand capped CsPbBr3 perovskite QDs under visible light illumination. The reaction can be generalized to different starting materials with various substituents on the phenyl ring and varied functional moieties, producing stereoselective dl-isomers. A radical mediated reaction pathway has been proposed. Our study provides a new way of stereoselective C?C oxidative coupling via a photocatalytic means using specially designed perovskite QDs.

Optimization of 3-phenylpyrazolo[1,5-a]pyrimidines as potent corticotropin-releasing factor-1 antagonists with adequate lipophilicity and water solubility

In our efforts to identify potent CRF1 antagonists with proper physicochemical properties, a series of 3-phenylpyrazolo[1,5-a]pyrimidines bearing polar groups, such as amino, hydroxyl, methoxy, sulfoxide, were designed and synthesized. Several positions of the core structure were identified, where a polar group was tolerated with slight reduction in receptor binding. NBI 30545 (18n) was found to have good binding affinity and potent antagonistic activity at the human CRF1 receptor. Moreover, this compound had proper lipophilicity (logD=2.78) and good solubility in water (>10mg/mL), and exhibited good plasma and brain exposure when given orally.