27472-21-5

Basic information

• Product Name: 3,4-Diethoxyphenylacetonitrile
• Synonyms: 2-(3,4-DIETHOXYPHENYL)ACETONITRILE;3,4-DIETHOXYBENZENE ACETONITRILE;3,4-DIETHOXYPHENYLACETONITRILE;AKOS B016114;ART-CHEM-BB B016114;2-(3,4-diethoxyphenyl)ethanenitrile;Benzeneacetonitrile, 3,4-diethoxy-
• CAS NO: 27472-21-5
• Molecular Formula: C₁₂H₁₅NO₂
• Molecular Weight: 205.25
• EINECS: 248-479-7
• Product Categories: Aromatic Nitriles;Nitriles
• Mol File: 27472-21-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: 33-35°C
• Boiling Point: 130°C 1mm
• Flash Point: 119.5 °C
• Appearance: /
• Density: 1.043 g/cm³
• Vapor Pressure: 0.000228mmHg at 25°C
• Refractive Index: 1.505
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3,4-Diethoxyphenylacetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Diethoxyphenylacetonitrile(27472-21-5)
• EPA Substance Registry System: 3,4-Diethoxyphenylacetonitrile(27472-21-5)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21-22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3439
• HazardClass: IRRITANT, IRRITANT-HARMFUL
• Hazardous Substances Data: 27472-21-5(Hazardous Substances Data)

Usage

General Description

3,4-Diethoxyphenylacetonitrile is a chemical compound with the molecular formula C12H15NO2. It is a white solid that is commonly used in organic synthesis and pharmaceutical research. 3,4-Diethoxyphenylacetonitrile is known for its aromatic properties and is used as an intermediate in the production of various drugs and pharmaceuticals. It is also used as a building block in the synthesis of complex organic molecules. 3,4-Diethoxyphenylacetonitrile is considered to be a versatile reagent in organic chemistry and is used in the manufacturing of a wide range of products.

InChI:InChI=1/C12H15NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7H2,1-2H3

Upstream product

• 83459-29-4 (3,4-diethoxyphenyl)methanol 
• 27472-20-4 1,2-diethoxy-4-chloromethyl-benzene 
• 2029-94-9 3,4-diethoxybenzaldehyde 
• 74-96-4 ethyl bromide 
• 1126-62-1 (3,4-dihydroxy-phenyl)-acetonitrile 
• 5409-31-4 3,4-diethoxybenzoic acid 
• 143-33-9 sodium cyanide 
• 151-50-8 potassium cyanide 

Downstream Products

• 143784-35-4 N-[1-(3,4-Diethoxy-benzyl)-6,7-diethoxy-isoquinolin-3-yl]-2-(3,4-diethoxy-phenyl)-acetamidine; hydrochloride 
• 1044502-66-0 cis-bis[(3,4-diethoxy-phenyl)acetonitrile]dichloroplatinum (II) 
• 1425539-79-2 11-{4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy}undecyl 2-methylacrylate 
• 855935-43-2 4,3',4'-triethoxy-2-hydroxy-6-methoxy-deoxybenzoin 
• 857563-98-5 2,3',4'-triethoxy-6-hydroxy-4-methoxy-deoxybenzoin 
• 153742-08-6 dimethyl 2-(3,4-diethoxyphenyl)-2-methyl malonate 
• 153742-18-8 methyl 2-cyano-2-(3,4-diethoxyphenyl) propionate 
• 153742-17-7 methyl 2-cyano-2-(3,4-diethoxyphenyl) acetate 
• 38464-04-9 3,4-diethoxy-phenyl-acetic acid 
• 61381-04-2 2-(3,4-diethoxyphenyl)ethylamine 
• 857564-00-2 2,3',4'-triethoxy-4,6-dihydroxy-deoxybenzoin 
• 857564-02-4 3',4'-diethoxy-2,4-dihydroxy-6-methoxy-deoxybenzoin 

Relevant articles and documents

New acyl derivatives of 3-aminofurazanes and their antiplasmodial activities

An N-acylated furazan-3-amine of a Medicines for Malaria Venture (MMV) project has shown activity against different strains of Plasmodium falciparum. Seventeen new derivatives were prepared and tested in vitro for their activities against blood stages of two strains of Plasmodium falciparum. Several structure–activity relationships were revealed. The activity strongly depended on the nature of the acyl moiety. Only benzamides showed promising activity. The substitution pattern of their phenyl ring affected the activity and the cytotoxicity of compounds. In addition, physicochemical parameters were calculated (log P, log D, ligand efficiency) or determined experimentally (permeability) via a PAMPA. The N-(4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl)-3(trifluoromethyl)benzamide possessed good physicochemical properties and showed high antiplasmodial activity against a chloroquine-sensitive strain (IC50 (NF54) = 0.019 μM) and even higher antiplasmodial activity against a multiresistant strain (IC50 (K1 ) = 0.007 μM). Compared to the MMV compound, the permeability and the activity against the multiresistant strain were improved.

PHOTOREACTIVE COMPOUNDS

The present invention relates to photoreactive compounds that are particularly useful in materials for the alignment of liquid crystals.