57584-95-9

Basic information

• Product Name: 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one
• Synonyms: 2-Benzoyl-3-dimethylaminopropene; 2-dimethylaminomethyl-1-phenyl-2-propen-1-one; 2-Propen-1-one, 2-[(dimethylamino)methyl]-1-phenyl-
• CAS NO: 57584-95-9
• Molecular Formula: C₁₂H₁₅NO
• Molecular Weight: 189.2536
• Mol File: 57584-95-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 276.9°C at 760 mmHg
• Flash Point: 93.4°C
• Density: 1g/cm³
• Vapor Pressure: 0.00466mmHg at 25°C
• Refractive Index: 1.526
• CAS DataBase Reference: 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one(57584-95-9)
• EPA Substance Registry System: 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one(57584-95-9)

Safety Data

• Hazardous Substances Data: 57584-95-9(Hazardous Substances Data)

Usage

Class

The compound belongs to the class of enones.

Usage

It is commonly used as a precursor in organic synthesis.

Structure

2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one has a phenyl group attached to the second carbon of the propenone chain, and a dimethylamino group attached to the first carbon.

Color

The compound has a yellowish color.

Solubility

It is soluble in organic solvents.

Applications

The compound has been used in the synthesis of various pharmaceuticals and organic compounds due to its reactivity and versatility in chemical reactions.

Upstream product

• 50-00-0 formaldehyd 
• 124-40-3 dimethyl amine 
• 98-86-2 acetophenone 
• 506-59-2 N,N-dimethylammonium chloride 

Relevant articles and documents

1H, 13C and 15N NMR spectral analysis of substituted 1,2,3,4-tetrahydro-pyrido[1,2-a]pyrimidines

The NMR spectroscopic data of a series of thirty-four 3-acylpyrido[1,2-a] pyrimidinium salts are analyzed, which were prepared as either perchlorates or chlorides. Methyl group substituted 3-aroyltetrahydropyrido[1,2-a]pyrimidines with the methyl substituent in positions 6, 8 and 9 as well as both in positions 6 and 8 were investigated bearing various aroyl substituents. Unequivocal assignment of all resonances was achieved via two-dimensional 1H,1H-COSY measurements, 1H,13C and 1H,15N HSQC as well as HMBC experiments, and important diagnostic CH and NH couplings in the heteroaromatic ring system are evaluated. The influence of the methyl substituents was analyzed on the proton, carbon and nitrogen shifts. A significant effect of the counter ion on some chemical shifts of the nuclei under discussion of the pyridopyrimidines is found, allowing the indirect detection of the anion, which is confirmed by direct measurement of the 35Cl nucleus of the perchlorates. Copyright 2013 John Wiley & Sons, Ltd. The 1H, 13C and 15N NMR spectroscopic data of a series of thirty-four 3-acylpyrido[1,2-a]pyrimidinium salts are analyzed, which were prepared as either perchlorates or chlorides They contain methyl substituent(s) in positions 6, 8 and 9 as well as both in positions 6 and 8. Important CH and NH long range couplings and significant differences of the chemical shifts depending on either the position of the methyl group or the counter ion were evaluated. Copyright

Amino dithio-formic acid ally propyl ester compound and its preparation and use

The present invention relates to a compound represented by a general formula (I) or a pharmaceutically acceptable salt or solvate thereof, a preparation method of the compound, and uses of the compound in preparation of antitumor drugs. The formula I is defined in the specification.