43076-61-5

Basic information

• Product Name: 4'-tert-Butyl-4-chlorobutyrophenone
• Synonyms: 4'-tert-Butyl-4-chlo;tert-Butyl-4-chlorobutyrophe;4-CHLORO-1-[4-(1,1-DIMETHYLETHYL)PHENYL]-1-BUTANONE;4-Chloro-1-[4-(tert-butyl)phenyl]-1-butanone;4'-TERT-BUTYL-4-CHLOROBUTYROPHENONE;4-TERT-BUTYL-GAMMA-CHLOROBUTYROPHENONE;4-TERBUTYL-GAMMA-CHLOROBUTYROPHENONE;4-CHLORO-1-[4-(1,1-DIMETHYLPHENYL)PHENYL]-1-BUTANONE
• CAS NO: 43076-61-5
• Molecular Formula: C₁₄H₁₉ClO
• Molecular Weight: 238.75
• EINECS: 256-077-8
• Product Categories: BUILDING BLOCKS;C13 to C14;Carbonyl Compounds;Ketones
• Mol File: 43076-61-5.mol
• Article Data: 8

Chemical Properties

• Melting Point: 47-49 °C(lit.)
• Boiling Point: 152 °C (1 mmHg)
• Flash Point: 152-155°C/1mm
• Appearance: White to very slightly yellow powder
• Density: 1.0292 (rough estimate)
• Refractive Index: 1.5260 (estimate)
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: soluble in Methanol
• BRN: 780343
• CAS DataBase Reference: 4'-tert-Butyl-4-chlorobutyrophenone(CAS DataBase Reference)
• NIST Chemistry Reference: 4'-tert-Butyl-4-chlorobutyrophenone(43076-61-5)
• EPA Substance Registry System: 4'-tert-Butyl-4-chlorobutyrophenone(43076-61-5)

Safety Data

• Hazard Codes: Xn,N
• Statements: 22-41-43-51/53
• Safety Statements: 26-36/37/39-61-7/8-24/25
• RIDADR: UN 3077 9/PG 3
• WGK Germany: 2
• Hazardous Substances Data: 43076-61-5(Hazardous Substances Data)

Usage

Chemical Properties

White to very slightly yellow powder

Upstream product

• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 253185-03-4 tert-butylbenzene 
• 4635-59-0 4-Chlorobutanoyl chloride 
• 63488-10-8 4-tert-butylmagnesium bromide 
• 122368-54-1 4-[(4-chlorophenyl)(pyridin-2-yl)methoxy]piperidine 

Downstream Products

• 109203-54-5 2-(4-tert-butylphenyl)-2-(3-chloropropyl)-1,3-dioxolane 
• 950501-45-8 1-(4-tert-butylphenyl)-4-(piperidin-1-yl)butanone 
• 1229622-27-8 2-(4-tert-butylphenyl)-2-(3-chloropropyl)-5,5-dimethyl-1,3-dioxane 
• 1229622-25-6 1-(4-tert-butylphenyl)-4-(1-hydroxy-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-3-yl)butane-1-one 
• 1229622-28-9 C₁₄H₂₀O₂ 
• 90729-43-4 ebastine 
• 1216953-13-7 C₃₂H₃₄⁽²⁾H₅NO₂ 
• 1316815-02-7 C₄H₄O₄*C₃₂H₃₄⁽²⁾H₅NO₂ 
• 89223-70-1 4-(4-benzhydrylpiperazin-1-yl)-1-(4-(tert-butyl)phenyl)butan-1-one 
• 1229622-10-9 3-{3-[2-(4-tert-butylphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]-propyl}-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-1-ol 
• 43076-44-4 1-<4-(1,1-Dimethylethyl)phenyl>-4-<4-(hydroxydiphenylmethyl)-1-piperidinyl>-1-butanone Hydrochloride 
• 1266997-50-5 2-(4-tert-butylphenyl)tetrahydrofuran 

Relevant articles and documents

Manganese-Catalyzed Electrochemical Deconstructive Chlorination of Cycloalkanols via Alkoxy Radicals

A manganese-catalyzed electrochemical deconstructive chlorination of cycloalkanols has been developed. This electrochemical method provides access to alkoxy radicals from alcohols and exhibits a broad substrate scope, with various cyclopropanols and cyclobutanols converted into synthetically useful β- and γ-chlorinated ketones (40 examples). Furthermore, the combination of recirculating flow electrochemistry and continuous inline purification was employed to access products on a gram scale.

Synthetic method of gamma-chlorobutanone derivatives

The invention discloses a synthetic method of gamma-chlorobutanone derivatives, and relates to a production method of inner-end and distal-end chlorinated aliphatic ketones in the technical field of chemical synthesis. Acetonitrile is taken as a solvent, manganese chloride is taken as a catalyst, tert-cyclobutanol, TMSCI (trimethylchlorosilane) and IBX (2-iodoxybenzoic acid) are subjected to a reaction, and a crude product is obtained; an organic solvent is removed through reduced-pressure concentration; the crude product is subjected to chromatography on a silica gel column with an organic solvent, and a refined product can be obtained. A synthetic route is shown in the specification, wherein R is aryl or alkyl. The raw materials used in the whole reaction process are cheap and easily available, a substrate adopted in the method has wide application range, and the whole reaction is simple and easy to operate and higher in yield; the reaction cost is reduced greatly.

Cu(I)-catalyzed oxidative cyclization of alkynyl oxiranes and oxetanes

In the presence of a Cu(I) catalyst and a pyridine oxide, alkynyl oxiranes and oxetanes can be converted into functionalized five- or six-membered α,β-unsaturated lactones or dihydrofuranaldehydes. This new oxidative cyclization is proposed to proceed via an unusual allenyloxypyridinium intermediate.