106634-67-7

Basic information

• Product Name: Ethanone, 1-(2-amino-4,5-dimethylphenyl)- (9CI)
• Synonyms: Ethanone, 1-(2-amino-4,5-dimethylphenyl)- (9CI)
• CAS NO: 106634-67-7
• Molecular Formula: C₁₀H₁₃NO
• Molecular Weight: 163.21632
• Product Categories: ACETYLGROUP
• Mol File: 106634-67-7.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Ethanone, 1-(2-amino-4,5-dimethylphenyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-(2-amino-4,5-dimethylphenyl)- (9CI)(106634-67-7)
• EPA Substance Registry System: Ethanone, 1-(2-amino-4,5-dimethylphenyl)- (9CI)(106634-67-7)

Safety Data

• Hazardous Substances Data: 106634-67-7(Hazardous Substances Data)

Upstream product

• 2198-54-1 N-(3,4-dimethylphenyl)acetamide 
• 75-36-5 acetyl chloride 
• 95-64-7 4-amino-o-xylene 
• 75-05-8 acetonitrile 
• 95-47-6 o-xylene 
• 15089-79-9 N-(2-acetyl-4,5-dimethylphenyl)acetamide 
• 50334-96-8 N-(3,4-dimethylphenyl)-3-oxobutanamide 
• 3637-01-2 3,4-dimethylacetophenone 
• 15089-82-4 1-(4,5-dimethyl-2-nitrophenyl)ethanone 

Downstream Products

• 937817-37-3 2-[2-(2-acetyl-4,5-dimethylphenylamino)acetylamino]benzoic acid methyl ester 
• 15089-82-4 1-(4,5-dimethyl-2-nitrophenyl)ethanone 

Relevant articles and documents

X-ray Structures of 1-Ethynyl-2-Nitrobenzene and 1-Ethynyl-4,5-Dimethyl-2-Nitrobenzene: Correlation to the Enhanced Rate of Hydration and Investigation of the C–H···O Alkyne-Nitro Hydrogen Bonding

The single crystal X-ray structures of 2-nitrophenylacetylene, 1, and 4,5-dimethyl-2-nitrophenylacetylene, 2, are presented. In both structures the nitro moiety is essentially coplanar with the benzene ring and interacts with the proximal alkyne which is slightly distorted. The crystal packing of both compounds is dominated by intramolecular alkyne-nitro C–H···O hydrogen bonds that are supplemented by weak arene C–H···O (nitro) hydrogen bonds. Compound 1 crystallizes in the monoclinic space group P21/c with a?=?3.7874(5), b?=?13.0673(16), c?=?13.98174(17) ?, β?=?90.587(2) and Z?=?4. The molecule is disordered over two sites with occupancy ratio of 88:12. Compound 2 crystallizes in the triclinic space group P-1 with a?=?7.6080(5), b?=?9.8811(6), c?=?12.8240(8) ?, α?=?108.1760(10), β?=?102.4170, γ?=?96.6480(10) and Z?=?4. The intermolecular interactions in both structures were dominated by alkyne-nitro and arene-nitro C–H···O hydrogen bonds. Graphical Abstract: The structures of 2-nitrophenylacetylene and 4,5-dimethyl-2-nitrophenylacetylene display a strong nitro-alkyne intramolecular O···C interaction resulting in distortion of the alkyne and terminal alkyne-nitro CH···O intermolecular interactions. [Figure not available: see fulltext.]

Preparation of 2′-aminoacetophenones: A one-pot hydration and reduction of 1-ethynyl-2-nitrobenzenes

The reductive hydration of 1-ethynyl-2-nitrobenzenes to the corresponding 2′-aminoacetophenones with a range of common reducing agents is described.

Preparation method of 6,7-dimethyl-4-hydroxyquinoline

The invention discloses a preparation method of 6,7-dimethyl-4-hydroxyquinoline. A target product is prepared by taking 1-(3,4-dimethyl phenyl)ethanone as a starting raw material through nitration, reduction and ring closing. The compound is an important

Synthesis of bridged benzazocines and benzoxocines by a titanium-catalyzed double-reductive umpolung strategy

A sequence of two titanium(III)-catalyzed reductive umpolung reactions is reported that allows the rapid construction of benzazo- and benzoxozine building blocks. The first step is a reductive cross-coupling of quinolones or chromones with Michael acceptors. This reaction proceeds with complete syn-selectivity for the quinolone functionalization while the anti-diastereomers are obtained as the major products from chromones. With different reaction conditions, the stereochemical outcome can be altered to afford the syn-chromanone products as well. A subsequent reductive ketyl radical cyclization forges the tricyclic title compounds in good yields. A stereochemical model explaining the observed stereoselectivities is provided and the product configurations were unambiguously verified by X-ray analyses and 2D NMR spectroscopic experiments.

Identification of anthranilic acid derivatives as a novel class of allosteric inhibitors of hepatitis C NS5B polymerase

A series of potent anthranilic acid-based inhibitors of the hepatitis C NS5B polymerase has been identified. The inhibitors bind to a site on NS5B between the thumb and palm regions adjacent to the active site as determined by X-ray crystallography of the enzyme-inhibitor complex. Guided by both molecular modeling and traditional SAR, the enzyme activity of the initial hit was improved by approximately 100-fold, yielding a series of potent and selective NS5B inhibitors with IC50 values as low as 10 nM. These compounds were also inhibitors of the HCV replicon in cultured HUH7 cells.

Herbicidal 2 methyl-4-phosphinylcinnolinium hydroxide inner salts

Certain 2-methyl-4-phosphinylcinnolinium hydroxide inner salts, useful for controlling unwanted plants.

Use of certain cinnoline-4-carboxylic acids and congeners thereof for controlling the growth of unwanted plants

The growth of unwanted plants is controlled by certain cinnoline-4-carboxylic acids and congeners thereof.

Method for preparing 4-hydroxycinnolines in a pH controlled system

In the preparation of a 4-hydroxycinnoline wherein the diazonium salt of a 2-aminoacetophenone in aqueous solution is allowed to undergo cyclocondensation, the improvement that comprises maintaining the pH of the solution between about 4.0 and 8.5 during the cyclocondensation.