169032-11-5

Basic information

• Product Name: 1-Butanone, 1-[4-[2-(acetyloxy)-1,1-dimethylethyl]phenyl]-4-chloro-
• CAS NO: 169032-11-5
• Molecular Formula: C16H21ClO3
• Molecular Weight: 296.794
• Mol File: 169032-11-5.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 1-Butanone, 1-[4-[2-(acetyloxy)-1,1-dimethylethyl]phenyl]-4-chloro-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Butanone, 1-[4-[2-(acetyloxy)-1,1-dimethylethyl]phenyl]-4-chloro-(169032-11-5)
• EPA Substance Registry System: 1-Butanone, 1-[4-[2-(acetyloxy)-1,1-dimethylethyl]phenyl]-4-chloro-(169032-11-5)

Safety Data

• Hazardous Substances Data: 169032-11-5(Hazardous Substances Data)

Usage

Molecular Weight

270.78 g/mol

Structure

A derivative of butanone (methyl ethyl ketone) with a chloro substituent on the phenyl ring and an acetyloxy group on the 2-position of the phenyl ring.

Solvent

Likely to have similar solvent properties as butanone, which is commonly used in industrial processes.

Potential Applications

Pharmaceutical, agrochemical, and other industries.

Chemical and Biological Properties

May exhibit unique properties due to its specific structure and functional groups, making it valuable for research and industrial purposes.

Reactivity

The presence of the acetyloxy group and chloro substituent may influence the reactivity of the compound in various chemical reactions.

Stability

The stability of the compound may be affected by factors such as temperature, light exposure, and the presence of other chemicals.

Toxicity

The toxicity of the compound is not mentioned in the provided material, but it may be similar to that of butanone or other related compounds, which can vary depending on factors such as concentration and exposure route.

Environmental Impact

The environmental impact of the compound is not specified in the material, but it may be similar to that of butanone, which can be harmful to aquatic life and should be handled with care.

Storage and Handling

Appropriate storage and handling procedures should be followed to ensure safety, such as storing in a cool, dry place away from heat and open flames, and using personal protective equipment when handling the compound.

Upstream product

• 6139-84-0 4-chlorobutyraldehyde 
• 18755-52-7 (2-acetoxy-1,1-dimethylethyl)benzene 
• 820-71-3 methallyl acetate 
• 71-43-2 benzene 
• 515-40-2 neophyl chloride 
• 4635-59-0 4-Chlorobutanoyl chloride 
• 2173-69-5 2-methyl-2-phenyl-propan-1-ol 

Downstream Products

• 169280-26-6 2-(4-(1-Oxo-1-cyclopropanyl)-phenyl)-2-methylpropanol 
• 480466-36-2 2-(3-cyclopropylcarbonyl)phenyl-2-methyl propanol 
• 162096-54-0 2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionic acid 
• 76811-97-7 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetic acid ethyl ester 
• 1448311-89-4 4-(4-chloro-1-hydroxyl-butyl)-α,α-dimethyl phenyl acetic acid ethyl ester 
• 174483-06-8 ethyl 4-[4[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-α,α-dimethylbenzeneacetate 
• 1189954-07-1 C₃₂H₃₄⁽²⁾H₅NO₃ 
• 1316815-11-8 C₃₄H₃₆⁽²⁾H₅NO₄ 
• 1316815-07-2 C₂₁H₃₁NO₄ 
• 169280-24-4 2-(4-(1-Oxo-1-cyclopropanyl)-phenyl)-2-methyl propanyl acetate 
• 169032-23-9 (R)-(+)-2-[4-(1-Hydroxy-4-(4-hydroxydiphenylmethyl-1-piperidyl)butyl)phenyl]isobutyronitrile 
• 169032-21-7 (S)-(-)-2-[4-(1-Hydroxy-4-(4-hydroxydiphenylmethyl-1-piperidyl)butyl)phenyl]isobutyronitrile 
• 252022-31-4 Methyl 2-[4-(1-ethylendioxo-4-chlorobutyl)phenyl]isobutyrate 
• 252022-36-9 2-[4-(1-Ethylendioxo-4-chlorobutyl)phenyl]isobutyryl amide 

Relevant articles and documents

Regio-selective synthesis of key intermediates of fexofenadine

The present work is focused on improved process of preparation of fexofenadine which is achieved by regio-selective synthesis of intermediate; 1-oxoalkoxy-2-methyl-2-[4-(4-chloro-1-oxobutyl)phenyl]propane. The said intermediate is prepared in good yields and with greater purity wherein the synthesis of side products like 1-oxoalkoxy-2-methyl-2-[3-(4-chloro-1-oxobutyl)phenyl]propane (metaisomer) is reduced to a great amount. The intermediate, 1-oxoalkoxy-2-methyl-2-[4-(4-chloro-1-oxobutyl)phenyl]propane (para-isomer) where, alkyl group is selected from C2-5 carbon chain, is synthesized through preparation of 1-chloro-2-methyl-2-phenylpropane which upon reaction with potassium salt of aliphatic carboxylic acid followed by Friedel-Crafts acylation with 4-chlorobutyrylchloride results into desired intermediate, 1-oxoalkoxy-2-methyl-2-[4-(4-chloro-1-oxobutyl)phenyl]propane and a side impurity, 1-oxoalkoxy-2-methyl-2-[3-(4-chloro-1-oxobutyl)phenyl]propane (meta-isomer) in the ratio of 1:0.09-0.15. The above said mixture can be directly used for the synthesis of fexofenadine and has an advantage of eliminating the purification process at intermediate stage and use of less volume of expensive solvents.

A process for producing 4-(4-halo-1-oxybutyl)-alpha,alpha-dimethylbenzene acetic acid or alkyl esters thereof

Disclosed herein is a process for large scale production of pure 4-(4-halo-1-oxybutyl)-α,α-dimethylbenzene acetic acid or alkyl esters thereof, wherein the process comprises of condensing (2-halo-1,1-dimethyl-ethyl)benzene with acetate salt followed by acylation with ω-halo compound, hydrolyzing and cyclizing the resultant regioisomers, subsequently oxidizing and purifying to obtain pure regioisomer, further halogenating and/or esterifying the para regioisomer to produce 4-(4-halo-1-oxybutyl)-α,α-dimethylbenzene acetic acid or their alkyl esters.

Intermediates useful for the preparation of antihistaminic piperidine derivatives

The present invention is related to a novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of the formula whereinW represents —C(=O)— or —CH(OH)—;R1 represents hydrogen or hydroxy;R2 represents hydrogen;R1 and R2 taken together form a second bond between the carbon atoms bearing R1 and R2;n is an integer of from 1 to 5;m is an integer 0 or 1;R3 is —COOH or —COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched each of A is hydrogen or hydroxy; andpharmaceutically acceptable salts and individual optical isomers thereof, with the proviso that where R1 and R2 are taken together to form a second bond between the carbon atoms bearing R1 and R2 or where R1 represented hydroxy, m is an integer 0.