21886-62-4

Basic information

• Product Name: 4-TERT-BUTYLPHENACYL CHLORIDE
• Synonyms: ASINEX-REAG BAS 11524413;4-TERT-BUTYLPHENACYL CHLORIDE;1-ETHANONE, 2-CHLORO-1-[4-(1,1-DIMETHYLETHYL)PHENYL]-;1-[4-(TERT-BUTYL)PHENYL]-2-CHLORO-1-ETHANONE;alpha-Chloro-4-tert-butylacetophenone;4'-TERT-BUTYL-2-CHLOROACETOPHENONE;2-CHLORO-4'-TERT-BUTYLACETOPHENONE;à-chloro-4-tert-butylacetophenone
• CAS NO: 21886-62-4
• Molecular Formula: C₁₂H₁₅ClO
• Molecular Weight: 210.7
• EINECS: -0
• Mol File: 21886-62-4.mol
• Article Data: 9

Chemical Properties

• Melting Point: 36°C
• Boiling Point: 142-146°C 1mm
• Flash Point: 142-146°C/1mm
• Appearance: /
• Density: 1.059 g/cm³
• Vapor Pressure: 0.00112mmHg at 25°C
• Refractive Index: 1.534
• BRN: 1211242
• CAS DataBase Reference: 4-TERT-BUTYLPHENACYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYLPHENACYL CHLORIDE(21886-62-4)
• EPA Substance Registry System: 4-TERT-BUTYLPHENACYL CHLORIDE(21886-62-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 21886-62-4(Hazardous Substances Data)

Usage

Uses

2-Chloro-4’-tert-butylacetophenone is a useful reactant and reagent for the synthesis of organic compounds such as 3-?hydroxy-?β-?lactams and terfenadine-based analogs.

InChI:InChI=1/C12H15ClO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7H,8H2,1-3H3

Upstream product

• 253185-03-4 tert-butylbenzene 
• 79-04-9 chloroacetyl chloride 
• 943-27-1 4'-t-butylacetophenone 
• 30095-47-7 2-bromo-1-(4-(tert-butyl)phenyl)ethanone 
• 70615-49-5 1-chloro-2-(4-tert-butylphenyl)acetylene 
• 1746-23-2 4-tert-Butylstyrene 

Downstream Products

• 1619-51-8 [4-(4-tert-butyl-phenyl)-thiazol-2-yl]-naphthalen-1-yl-amine 
• 73973-74-7 1-(4-tert-butylphenyl)-2-(1H-imidazol-1-yl)ethan-1-ol 
• 1379607-02-9 1-(4-(tert-butyl)phenyl)pent-4-en-1-one 
• 1415021-86-1 (4-(tert-butyl)phenyl)(2-phenyl-2H-indazol-3-yl)methanone 
• 41037-49-4 1-(tert-butyl)-4-(2-chloroethyl)benzene 
• 736148-16-6 1-(4-(tert-butyl)phenyl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone 
• 1186078-92-1 6-phenyl-3-(4-tert-butylphenyl)-7H-thiazolo[3,2-b][1,2,4]triazin-7-one 
• 1196894-22-0 5-(4-tert-Butylphenyl)-2-methyl-1H-imidazole 
• 1134177-99-3 4-[(4-tert-butyl)phenyl]-2-(N-benzylamino)thiazole 
• 476280-45-2 4-[(4-tert-butyl)phenyl]-2-(N-acetylamino)thiazole 
• 190436-32-9 4-[(4-tert-butyl)phenyl]-2-(N-phenylamino)thiazole 
• 81529-61-5 2-amino-4-(4′-tert-butylphenyl)thiazole 
• 853693-49-9 4-[(4-tert-butyl)phenyl]-2-(N-methylamino)thiazole 
• 1134178-11-2 4-[(4-tert-butyl)phenyl]-2-[N-(2-(4-methoxyphenyl)ethyl)amino]thiazole 

Relevant articles and documents

A practical synthesis of α-bromo/iodo/chloroketones from olefins under visible-light irradiation conditions

A practical synthesis of α-bromo/iodo/chloroketones from olefins under visible-light irradiation conditions has been developed. In the presence of PhI(OAc)2 as promoter and under ambient conditions, the reactions of styrenes and triiodomethane undergo the transformation smoothly to deliver the corresponding α-iodoketones without additional photocatalyst in good yields under sunlight irradiation. Meanwhile, the reactions of styrenes with tribromomethane and trichloromethane generate the desired α-bromoketones and α-chloroketones in high yields by using Ru(bpy)3Cl2 as a photocatalyst under blue LED (450–455 nm) irradiation.

CV-driven Optimization: Cobalt-Catalyzed Electrochemical Expedient Oxychlorination of Alkenes via ORR

Instead of screening reaction conditions by yield-based chemical trial-and-error, potential-based cyclic voltammetry was alternatively employed for optimization of electrochemical oxychlorination of alkenes. With this unconventional screening method, the catalyst system including catalysts, molar ratio of chloride sources and solvents were identified in a rational, time- and energy-efficient manner. The optimal catalytic system in combination with oxygen reduction reaction enabled broad substrate scopes for the desired transformation by taking advantages of persistent radical effect. UV-vis and CV titration experiments confirmed the in-situ formed catalytic species [CoCl5]. Moreover, cyclic voltammetry was applied to obtain mechanistic insights in our reaction system. (Figure presented.).

Metal-free hydration of aromatic haloalkynes to α-halomethyl ketones

A highly regioselective and efficient metal-free hydration of aromatic haloalkynes to α-halomethyl ketones using cheap tetrafluoroboric acid as catalyst is described. The protocol is conducted under convenient conditions and affords products in good to excellent yields, with broad substrate scope, including a variety of aromatic alkynyl chlorides, alkynyl bromides, and alkynyl iodides.