4640-69-1

Basic information

• Product Name: 3,4-DIMETHOXYBENZOYLACETONITRILE
• Synonyms: 3,4-DIMETHOXYBENZOYLACETONITRILE;3-(3,4-DIMETHOXYPHENYL)-3-OXOPROPANENITRILE;3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONITRILE;3,4-dimethoxbenzoylacetonitrile;3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile, 3-(3,4-Dimethoxyphenyl)-3-oxopropionitrile;3-(3,4-dimethoxyphenyl)-3-keto-propionitrile
• CAS NO: 4640-69-1
• Molecular Formula: C₁₁H₁₁NO₃
• Molecular Weight: 205.21
• Mol File: 4640-69-1.mol
• Article Data: 12

Chemical Properties

• Melting Point: 139-141°C
• Boiling Point: 377.5°C at 760 mmHg
• Flash Point: 165.1°C
• Appearance: /
• Density: 1.147g/cm³
• Vapor Pressure: 6.71E-06mmHg at 25°C
• Refractive Index: 1.517
• Storage Temp.: 2-8°C
• PKA: 8.05±0.12(Predicted)
• CAS DataBase Reference: 3,4-DIMETHOXYBENZOYLACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-DIMETHOXYBENZOYLACETONITRILE(4640-69-1)
• EPA Substance Registry System: 3,4-DIMETHOXYBENZOYLACETONITRILE(4640-69-1)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 4640-69-1(Hazardous Substances Data)

Usage

General Description

3,4-DIMETHOXYBENZOYLACETONITRILE is a chemical compound with the molecular formula C11H11NO3. It is commonly used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. 3,4-DIMETHOXYBENZOYLACETONITRILE is a nitrile derivative of 3,4-dimethoxybenzoylacetone and is a white to off-white solid at room temperature. It is often employed as a building block for the preparation of diverse heterocyclic compounds. Additionally, it is utilized in research and development as a reagent and precursor for the synthesis of biologically active molecules. However, it should be handled and used with caution, as it may pose health and environmental risks.

InChI:InChI=1/C11H11NO3/c1-14-10-4-3-8(7-11(10)15-2)9(13)5-6-12/h3-4,7H,5H2,1-2H3

Upstream product

• 151-50-8 potassium cyanide 
• 3943-77-9 ethyl veratrate 
• 2150-38-1 methyl 3,4-dimethoxybenzoate 
• 3535-37-3 3,4-dimethoxybenzoic acid chloride 
• 75-05-8 acetonitrile 
• 1116-98-9 cyanoacetic acid tert-butyl ester 
• 2859-78-1 4-Bromoveratrole 
• 82102-37-2 9-methyl-9H-fluorene-9-carbonyl chloride 
• 120-14-9 3,4-dimethoxy-benzaldehyde 

Downstream Products

• 179327-28-7 (2-amino-6-ethyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-3-yl)-(3,4-dimethoxy-phenyl)-methanone 
• 179327-24-3 2-amino-6-benzyl-3-(3,4-dimethoxybenzoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine 
• 199102-72-2 2-amino-7-benzyloxycarbonyl-3-(3,4-dimethoxybenzoyl)-4,5,6,7-tetrahydrothieno[2,3-b]pyridine 
• 199102-52-8 2-amino-6-benzoyl-3-(3,4-dimethoxybenzoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine 
• 199102-74-4 2-amino-5-(4-chlorobenzoyl)-3-(3,4-dimethoxybenzoyl)-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine 
• 244298-89-3 (2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-(3,4-dimethoxyphenyl)methanone 
• 179327-04-9 2-amino-3-(3,4-dimethoxybenzoyl)-4,5-dimethylthiophene 
• 244298-92-8 2-amino-3-(3,4-dimethoxybenzoyl)benzo[b]thiophene 
• 244298-91-7 N-[3-(3,4-dimethoxybenzoyl)-benzo[b]thiophen-2-yl]acetamide 
• 244298-90-6 N-[3-(3,4-dimethoxybenzoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl]acetonitrile 
• 179327-07-2 ethyl 6-chloromethyl-4-(3,4-dimethoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate 
• 244298-87-1 2-chloromethyl-4-(3,4-dimethoxy-phenyl)-benzo[4,5]thieno[2,3-b]pyridine-3-carboxylic acid ethyl ester 
• 179327-43-6 2-chloromethyl-4-(3,4-dimethoxy-phenyl)-7-ethyl-5,6,7,8-tetrahydro-9-thia-1,7-diaza-fluorene-3-carboxylic acid ethyl ester 
• 199101-54-7 ethyl 2-(diethylaminomethyl)-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b:5,4-c']dipyridine-3-carboxylate 

Relevant articles and documents

Deadly KCN and pricey metal free track for accessing β-ketonitriles employing mild reaction conditions

A one pot synthesis of β-ketonitriles from readily accessible 3-chloropropenals using economically benign iodine, aqueous ammonia and sodium hydroxide solution, employing mild reaction conditions have been described. This report presents a convenient, inexpensive, highly toxic-matter-free and eco-friendly approach for β-ketonitriles.

3,5-Diaryl-1H-pyrazolo[3,4-b]pyridines as potent tubulin polymerization inhibitors: Rational design, synthesis and biological evaluation

A series of novel 3,5-diaryl-1H-pyrazolo[3,4-b]pyridines as tubulin polymerization inhibitors targeting the colchicine site were designed via ring tethering strategy, which was supported by conformational analysis. The general, chemically unstable and rot

Design, synthesis, and evaluation of 2-aryl-7-(3′,4′-dialkoxyphenyl)-pyrazolo[1,5-a]pyrimidines as novel PDE-4 inhibitors

Described herein is design, synthesis, and biological evaluation of novel series of 2-aryl-7-(3′,4′-dialkoxyphenyl)-pyrazolo[1,5-a]pyrimidines acting as inhibitors of type 4 phosphodiesterase (PDE4) which is known as a good target for the treatment of asthma and COPD. For this purpose, structure optimization was conducted with the aid of structure-based drug design using the known X-ray crystallography. Also, biological effects of these compounds on the target enzyme were evaluated by using in vitro assays, leading to the potent and selective PDE-4 inhibitor (IC50 10 nM).