4'-tert-Butyl-4-chlorobutyrophenone Chemical Properties

Melting point:

47-49 °C(lit.)

Boiling point:

152 °C (1 mmHg)

Density 

1.0292 (rough estimate)

refractive index 

1.5260 (estimate)

Flash point:

152-155°C/1mm

storage temp. 

Inert atmosphere,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

color 

White to Light yellow

BRN 

780343

InChI

InChI=1S/C14H19ClO/c1-14(2,3)12-8-6-11(7-9-12)13(16)5-4-10-15/h6-9H,4-5,10H2,1-3H3

InChIKey

RLKSQLJFGCDUOX-UHFFFAOYSA-N

SMILES

C(C1=CC=C(C(C)(C)C)C=C1)(=O)CCCCl

CAS DataBase Reference

43076-61-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,N

Risk 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

HS Code 

2914790090

MSDS

• Language:English Provider:4'-tert-Butyl-4-chlorobutyrophenone
• Language:English Provider:SigmaAldrich
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4'-tert-Butyl-4-chlorobutyrophenone Usage And Synthesis

Chemical Properties

White to very slightly yellow powder

Uses

1-(4-tert-Butylphenyl)-4-chloro-1-butanone, is the starting material in the synthesis of Terfenadine (T114500).

Synthesis

In a dry reaction flask, add 4-chlorobutyrylbenzene, anhydrous aluminum trichloride, tert-butyl chloride, dichloromethane, stirring at 45 ?? for 10 hours, after the reaction, the reaction solution is poured into a mixture of concentrated hydrochloric acid and water, filtered, the solution is mixed with ether, stirring, precipitation of solids, the aqueous layer is divided with a separatory funnel, the organic layer is added to the petroleum ether, stirring, the solvent is recovered first at atmospheric pressure, and then distilled under reduced pressure, to obtain white Crystal powder 4'-tert-butyl-4-chlorobutyrylbenzene.

4'-tert-Butyl-4-chlorobutyrophenone(43076-61-5)Related Product Information

• PHENYL VALERATE
• BUTYL OLEATE
• Buprofezin
• tert-Butanol
• Dibutyl phthalate
• tert-Butylbenzene
• 4-tert-Butylphenol
• Diethylene glycol monobutyl ether
• Cyhalofop-butyl
• Butyl acetate
• tert-Butylchlorodiphenylsilane
• 4-tert-Butylcatechol
• Methyl 4-tert-butylbenzoate
• tert-Butyl methyl ether
• tert-Butyldimethylsilyl chloride
• N-(n-butyl)thiophosphoric triamide
• tert-Butyl hydroperoxide
• 4'-tert-Butylacetophenone