100595-96-8

Basic information

• Product Name: 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one hydrochloride
• Synonyms: 2-[(Dimethylamino)methyl]-1-phenylprop-2-en-1-one hydrochloride (1:1); 2-Propen-1-one, 2-[(dimethylamino)methyl]-1-phenyl-, hydrochloride; 2-propen-1-one, 2-[(dimethylamino)methyl]-1-phenyl-, hydrochloride (1:1)
• CAS NO: 100595-96-8
• Molecular Formula: C₁₂H₁₅NO*ClH
• Molecular Weight: 225.7145
• Mol File: 100595-96-8.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 276.9°C at 760 mmHg
• Flash Point: 93.4°C
• Vapor Pressure: 0.00466mmHg at 25°C
• CAS DataBase Reference: 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one hydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one hydrochloride(100595-96-8)
• EPA Substance Registry System: 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one hydrochloride(100595-96-8)

Safety Data

• Hazardous Substances Data: 100595-96-8(Hazardous Substances Data)

Usage

Chemical structure

The compound contains a phenylpropenone structure, with a dimethylamino group attached to the alpha carbon, and a methyl group at the beta carbon.

Physical form

It is a yellow crystalline powder.

Salt form

The hydrochloride salt form is commonly used for its increased stability and solubility in water.

Uses

It is commonly used as a reagent in organic synthesis and as a precursor in the preparation of pharmaceuticals and other organic compounds.

Versatility

It has potential applications in the fields of medicinal chemistry, pharmacology, and chemical research.

Hazards

It is a potentially hazardous chemical that can cause irritation to the skin, eyes, and respiratory system, and may be harmful if ingested or inhaled. It is important to handle this compound with caution.

Upstream product

• 50-00-0 formaldehyd 
• 506-59-2 N,N-dimethylammonium chloride 
• 98-86-2 acetophenone 
• 30354-18-8 N,N-dimethyl(methylene)ammonium chloride 
• 68-12-2 N,N-dimethyl-formamide 
• 64-19-7 acetic acid 

Downstream Products

• 320750-27-4 3-(2-benzoylallyl)-4-hydroxy-6-methylpyran-2-one 
• 320750-38-7 3-(2-benzoyl-3-ethoxypropyl)-4-hydroxy-6-methylpyran-2-one 
• 320750-39-8 3-(2-benzoyl-3-benzylmercaptopropyl)-4-hydroxy-6-methylpyran-2-one 
• 757975-49-8 3-benzoyl-3,4-dihydro-2H-6,8-dimethylpyrido[1,2-a]pyrimidinium perchlorate 
• 757975-47-6 3-benzoyl-3,4-dihydro-8-methyl-2H-pyrido[1,2-a]pyrimidine perchlorate 

Relevant articles and documents

1-Aryl-2-dimethylaminomethyl-2-propen-1-one hydrochlorides and related adducts: A quest for selective cytotoxicity for malignant cells

The primary objective of this study was to discover one or more clusters of compounds which are not equitoxic but display cytoselectivity toward different malignant cells. Furthermore a most important consideration is that such molecules should also displ

Synthesis, antifungal and antimycobacterial activities of new bis-imidazole derivatives, and prediction of their binding to P45014DM by molecular docking and MM/PBSA method

New bis-imidazole derivatives have been synthesized and their antifungal and antimycobacterial activity was determined. Almost all compounds exhibited a moderate to good activity against two clinical isolates of Candida albicans 3038 and Candida glabrata

Synthesis, characterization and no synthase inhibition testing of 2-aryl-5-aroyl-3,4,5,6-tetrahydropyrimidinium chlorides

Aryl methyl ketones can be easily converted to 1-aryl-2-dimethylaminomethylpropenones that are known as interesting lead structures for drug development. By reaction of these enone Mannich bases with benzamidines, a series of new 2-aryl-5-aroyl-3,4,5,6-te

Synthesis and antifungal evaluation of 1-aryl-2-dimethylaminomethyl-2- propen-1-one hydrochlorides

The development of resistance to current antifungal therapeutics drives the search for new effective agents. The fact that several acetophenone-derived Mannich bases had shown remarkable antifungal activities in our previous studies led us to design and s