2040-07-5

Basic information

• Product Name: 2',4',5'-TRIMETHYLACETOPHENONE
• Synonyms: 1-(2,4,5-TRIMETHYLPHENYL)-1-ETHANONE;2',4',5'-TRIMETHYLACETOPHENONE;2,4,5-TRIMETHYLACETOPHENONE;1-(2,4,5-trimethyl-phenyl)-ethanone;1-(2,4,5-Trimethylphenyl)-ethanone;Acetophenone, 2',4',5'-trimethyl-;1-(2,4,5-trimethylphenyl)ethan-1-one;2,4,5-TRIMETHYLACETOPHENONE 97%
• CAS NO: 2040-07-5
• Molecular Formula: C₁₁H₁₄O
• Molecular Weight: 162.23
• EINECS: 218-036-2
• Product Categories: Aromatic Acetophenones & Derivatives (substituted)
• Mol File: 2040-07-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 10-11 °C
• Boiling Point: 228-229 °C(lit.)
• Flash Point: 125 °F
• Appearance: /
• Density: 0.975 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.027mmHg at 25°C
• Refractive Index: n20/D 1.5390(lit.)
• BRN: 2042909
• CAS DataBase Reference: 2',4',5'-TRIMETHYLACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2',4',5'-TRIMETHYLACETOPHENONE(2040-07-5)
• EPA Substance Registry System: 2',4',5'-TRIMETHYLACETOPHENONE(2040-07-5)

Safety Data

• Statements: 10
• Safety Statements: 16-26-36
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 2040-07-5(Hazardous Substances Data)

Usage

Chemical Properties

CLEAR YELLOW LIQUID

InChI:InChI=1/C11H14O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6H,1-4H3

Upstream product

• 351002-92-1 2,4,5-trimethylphenylacetylene 
• 95-63-6 1,2,4-Trimethylbenzene 
• 75-36-5 acetyl chloride 
• 34589-46-3 (2,4-dimethylphenyl)magnesium bromide 
• 108-24-7 acetic anhydride 

Downstream Products

• 105910-90-5 1-(2,4,5-trimethyl-phenyl)-ethanone semicarbazone 
• 37180-86-2 1-(2,4,5-trimethyl-phenyl)-ethanol 
• 528-90-5 2,4,5-trimethylbenzoic acid 
• 3167-01-9 (2,4,5-trimethyl-phenyl)-acetic acid 
• 2047-21-4 3,4,5-trimethylacetophenone 
• 17851-27-3 1-ethyl-2,4,5-trimethylbenzene 
• 87558-98-3 1-(2,4,5-trimethyl-phenyl)-ethanone oxime 
• 3167-02-0 (2,4,5-trimethyl-phenyl)-acetic acid amide 
• 412035-54-2 (2,4,5-trimethyl-phenyl)-glyoxylic acid 
• 79068-65-8 DL-2,4,5-Trimethylmandelsaeure 
• 37180-87-3 Bis-<1-(2,4,5-Trimethylphenyl)-ethyl>-oxid 
• 3937-24-4 2,4,5-trimethyl-styrene 
• 65426-72-4 1-acetoxy-1-(2,4,5-trimethyl-phenyl)-ethane 

Relevant articles and documents

Bismuth subnitrate-catalyzed markovnikov-type alkyne hydrations under batch and continuous flow conditions

Bismuth subnitrate is reported herein as a simple and efficient catalyst for the atom-economical synthesis of methyl ketones via Markovnikov-type alkyne hydration. Besides an effective batch process under reasonably mild conditions, a chemically intensified continuous flow protocol was also developed in a packed-bed system. The applicability of the methodologies was demonstrated through hydration of a diverse set of terminal acetylenes. By simply switching the reaction medium from methanol to methanol-d4, valuable trideuteromethyl ketones were also prepared. Due to the ready availability and nontoxicity of the heterogeneous catalyst, which eliminated the need for any special additives and/or harmful reagents, the presented processes display significant advances in terms of practicality and sustainability.

Metal-Free Markovnikov-Type Alkyne Hydration under Mild Conditions

A Markovnikov-type alkyne hydration protocol is presented using 20% CF3SO3H (TfOH) as the catalyst under unprecedented mild conditions applicable to various alkynes, including terminal arylalkynes, terminal nonfunctionalized aliphatic alkynes, and internal alkynes with excellent regioselectivity in good to excellent yields (average yields >85%). The reaction procedure operates under mild conditions (25-70°C), with broad functional group compatibility, and uses only slightly more than a stoichiometric amount of water in the absence of any transition metal. The success of this protocol hinges upon the utilization of trifluoroethanol as the solvent.

Bulky, spherical, and fluorinated anion BArF induces 'on-water' activity of silver salt for the hydration of terminal alkynes

AgBArF displays remarkable 'on-water' activity for catalytic hydration of terminal alkynes although it is ineffective in common organic solvents. Liquid alkynes do not require additive or co-solvent whereas a small amount of ethyl acetate triggers quantitative conversions for solid alkynes.