50334-96-8

Basic information

• Product Name: N-(3,4-DIMETHYL-PHENYL)-3-OXO-BUTYRAMIDE
• Synonyms: CHEMBRDG-BB 4021677;AKOS B029150;N-(3,4-DIMETHYL-PHENYL)-3-OXO-BUTYRAMIDE;AKOS BBR-000995;ART-CHEM-BB B029150;N-(3,4-DIMETHYLPHENYL)-3-OXOBUTANAMIDE;VITAS-BB TBB009867;N-(3,4-dimethylphenyl)-3-oxobutanamide(SALTDATA: FREE)
• CAS NO: 50334-96-8
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.25
• Mol File: 50334-96-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 96℃
• Boiling Point: 381.3°Cat760mmHg
• Flash Point: 157.2°C
• Appearance: /
• Density: 1.108
• Vapor Pressure: 5.12E-06mmHg at 25°C
• Refractive Index: 1.555
• CAS DataBase Reference: N-(3,4-DIMETHYL-PHENYL)-3-OXO-BUTYRAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N-(3,4-DIMETHYL-PHENYL)-3-OXO-BUTYRAMIDE(50334-96-8)
• EPA Substance Registry System: N-(3,4-DIMETHYL-PHENYL)-3-OXO-BUTYRAMIDE(50334-96-8)

Safety Data

• Hazardous Substances Data: 50334-96-8(Hazardous Substances Data)

Usage

General Description

N-(3,4-DIMETHYL-PHENYL)-3-OXO-BUTYRAMIDE is a chemical compound with the molecular formula C12H15NO2. It is a derivative of butyramide, containing a 3,4-dimethyl-phenyl group. N-(3,4-DIMETHYL-PHENYL)-3-OXO-BUTYRAMIDE is commonly used in pharmaceutical research as a building block for the synthesis of various biologically active molecules. Its properties and applications include its potential as an anti-inflammatory and analgesic agent, as well as its use in the development of new drugs for neurological disorders and other medical conditions. Additionally, it may also have use in the field of organic chemistry as a starting material for the preparation of other compounds.

InChI:InChI=1/C12H15NO2/c1-8-4-5-11(6-9(8)2)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)

Upstream product

• 105-45-3 acetoacetic acid methyl ester 
• 95-64-7 4-amino-o-xylene 
• 2198-54-1 N-(3,4-dimethylphenyl)acetamide 
• 75-36-5 acetyl chloride 
• 141-97-9 ethyl acetoacetate 

Downstream Products

• 1452145-16-2 C₃₁H₃₃N₃O₃ 
• 1452145-64-0 C₁₉H₂₂N₂O 

Relevant articles and documents

Ru-NHC-Catalyzed Asymmetric Hydrogenation of 2-Quinolones to Chiral 3,4-Dihydro-2-Quinolones

Direct enantioselective hydrogenation of unsaturated compounds to generate chiral three-dimensional motifs is one of the most straightforward and important approaches in synthetic chemistry. We realized the Ru(II)-NHC-catalyzed asymmetric hydrogenation of 2-quinolones under mild reaction conditions. Alkyl-, aryl- and halogen-substituted optically active dihydro-2-quinolones were obtained in high yields with moderate to excellent enantioselectivities. The reaction provides an efficient and atom-economic pathway to construct simple chiral 3,4-dihydro-2-quinolones. The desired products could be further reduced to tetrahydroquinolines and octahydroquinolones.

Phenothiazine and amide-ornamented dihydropyridines: Via a molecular hybridization approach: Design, synthesis, biological evaluation and molecular docking studies

A series of novel phenothiazinyldihydropyridine dicarboxamides 7a-7j was synthesized by adopting a multi-step synthetic strategy and characterized through physical and spectral techniques. Among them, the chemical entities with para-fluoro (7d), ortho-bromo and-fluoro (7f and 7i), ortho- A nd para-methyl (7e) and meta- A nd para-methoxy (7h) substituents exhibited either similar or superior anti-inflammatory activities with respect to the standard drug diclofenac sodium. Besides, the chemical entities with ortho-bromo and-fluoro substituents as well as meta-nitro substituents (7f, 7g and 7i) showed enhanced radical scavenging activities when compared to standard ascorbic acid. Furthermore, anticancer studies revealed that the meta- A nd para-chloro-substituted molecule 7a exerted the best activity against all the pancreatic cancer cells tested. Also, appreciable binding affinity (-8.10 kcal mol-1) was observed during molecular docking between B-cell lymphoma 2 and 7a. The structural diversifications of the potent chemical entities besides further exploration in connection with the biological profiles of the same are underway.

Synthesis, screening for antitubercular activity and 3D-QSAR studies of substituted N-phenyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxamides

Multi-drug resistance to commonly used antitubercular drugs has propelled the development of new structural classes of antitubercular agents. This paper reports the synthesis, evaluation and 3D-QSAR analysis of a set of substituted N-phenyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxamides as antitubercular agents. Substituted acetoacetanilides were reacted with various aromatic aldehydes and urea which yielded the tetrahydropyrimidine derivatives with a phenyl carbamoyl group at C5 position, and with various substitutions on the 4-phenyl and the N-phenyl aromatic rings. All compounds were screened for antitubercular activity against Mycobacterium tuberculosis H37Rv strain. The QSAR models were generated on a training set of 23 molecules. The molecules were aligned using the atom-fit and field-fit techniques. The CoMFA and CoMSIA models generated on the molecules aligned by the atom-fit method show a correlation coefficient (r2) of 0.98 and 0.95 with cross-validated r2(q2) of 0.68 and 0.58, respectively. The 3D-QSAR models were externally validated against a test set of 7 molecules for which the predictive r2 (rpred2) is recorded as 0.41 and 0.32 for the CoMFA and CoMSIA models, respectively. The CoMFA and CoMSIA contours helped to design some new molecules with improved activity.