53657-94-6

Basic information

• Product Name: Ethanone, 1-(2-amino-3-methylphenyl)- (9CI)
• Synonyms: Ethanone, 1-(2-amino-3-methylphenyl)- (9CI);Ethanone,1-(2-amino-3-methylphenyl)-;1-(2-AMino-3-Methylphenyl)ethanone;2'-Amino-3'-methylacetophenone
• CAS NO: 53657-94-6
• Molecular Formula: C₉H₁₁NO
• Molecular Weight: 149.18974
• Product Categories: ACETYLGROUP
• Mol File: 53657-94-6.mol
• Article Data: 15

Chemical Properties

• Melting Point: 55-56 °C
• Boiling Point: 271.6 °C at 760 mmHg
• Flash Point: 118.1 °C
• Appearance: /
• Density: 1.069 g/cm³
• Vapor Pressure: 0.00639mmHg at 25°C
• Refractive Index: 1.563
• PKA: 2.16±0.10(Predicted)
• CAS DataBase Reference: Ethanone, 1-(2-amino-3-methylphenyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-(2-amino-3-methylphenyl)- (9CI)(53657-94-6)
• EPA Substance Registry System: Ethanone, 1-(2-amino-3-methylphenyl)- (9CI)(53657-94-6)

Safety Data

• Hazardous Substances Data: 53657-94-6(Hazardous Substances Data)

Usage

General Description

"Ethanone, 1-(2-amino-3-methylphenyl)- (9CI)", also known as 2-Amino-3-methylacetophenone or 1-(2-amino-3-methylphenyl)ethanone, is an organic chemical compound with the molecular formula C9H11NO. It belongs to the class of chemicals known as aromatic ketones, featuring a ketone functional group located on an aromatic ring. This synthesis compound tends to appear as a light yellow or brownish solid and is often used in chemical research or pharmaceutical studies. Its properties may vary, including melting point, boiling point and density, depending on surrounding conditions like temperature and pressure. Special care should be taken while handling it due to its potential health hazards.

InChI:InChI=1/C9H11NO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5H,10H2,1-2H3

Upstream product

• 120-66-1 N-(2-methylphenyl)acetamide 
• 4389-50-8 2-amino-6-methylbenzoic acid 
• 917-54-4 methyllithium 
• 95-53-4 o-toluidine 
• 4389-45-1 3-methylantranilic acid 
• 27505-78-8 2,3,7-trimethyl-1H-indole 
• 56762-31-3 N-Acetyl-2-methyl-6-acetylaniline 
• 1336-21-6 ammonium hydroxide 
• 50424-93-6 3-methyl-2-nitrobenzoyl chloride 
• 75-05-8 acetonitrile 
• 69976-71-2 3'-Methyl-2'-nitro-acetophenon 

Downstream Products

• 78208-08-9 (3'-methyl-2'-amino) acetophenone O-methyl oxime 
• 53733-04-3 2-bromo-2'-acetyl-6'-methylacetanilide 
• 1363508-18-2 C₁₀H₁₁NO 
• 1363508-04-6 2-acetyl-6-methylbenzonitrile 
• 96394-96-6 2-chloro-N-[2-(1-hydroxyethyl)-6-methyl-phenyl]-N-(2-methoxy-1-methyl-ethyl)acetamide 
• 1609269-26-2 4,8-dimethyl-2,3-diphenylquinoline 
• 1417901-25-7 1-((3-methyl-2-(phenylamino))phenyl)ethanone 
• 130266-44-3 7-methyl-1-phenylindoline-2,3-dione 
• 1429782-25-1 C₁₁H₁₀Cl₃NO₂ 

Relevant articles and documents

Atropisomeric Properties of 9-Methyl-1,4-benzodiazepin-2-ones

The atropisomeric and conformational properties of 1,4-benzodiazepin-2-ones were investigated by freezing the conformation with a methyl group at the C9 of 1,4-benzodiazepine. It was revealed that 1,4-benzodiazepin-2-ones exist only as a pair of enantiome

COMPOUNDS

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Preparation of an N-sec-alkyl 2,6-disubstituted aniline: a key intermediate in the divergent synthesis of S-Metolachlor metabolites

A simple method to prepare a 2,6-disubstituted aniline containing a N-sec-alkyl group and a carbonyl on one ortho substituent is reported. This method was used to accomplish the first synthesis of side chain oxidized ethylsulfonic acid (ESA) and oxanilic acid (OXA) metabolites of S-Metolachlor (S-Moc) herbicide. The 2,6-disubstituted aniline functionality was installed by a Sugasawa reaction of readily available ortho-toluidine. The N-sec alkyl group was introduced by a Mitsunobu alkylation of the nosyl-activated 2-acetyl-6-methyl-substituted aniline. This crucial step enabled access to the key 2,6-disubstituted aniline intermediate which was used in the divergent synthesis of S-Moc metabolites. A bioinspired synthesis of the keto-ESA metabolite was achieved in one step from the hydroxyl-ESA metabolite using a ruthenium-catalyzed oxidation.[Figure presented]