70289-38-2

Basic information

• Product Name: 4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone
• Synonyms: 4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone;4-chloro-4'-isopropylbutyrophenone;γ-Chloro-p-isopropylbutyrophenone;4-chloro-1-(4-propan-2-ylphenyl)butan-1-one
• CAS NO: 70289-38-2
• Molecular Formula: C₁₃H₁₇ClO
• Molecular Weight: 224.72648
• EINECS: 274-544-4
• Mol File: 70289-38-2.mol
• Article Data: 10

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone(70289-38-2)
• EPA Substance Registry System: 4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone(70289-38-2)

Safety Data

• Hazardous Substances Data: 70289-38-2(Hazardous Substances Data)

Usage

General Description

4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone is a chemical compound with the molecular formula C12H15ClO. It is also known by its common name, 4-Chloro-4'-isopropylacetophenone. This chemical is an organic compound and a member of the ketone functional group. It appears as a clear liquid with a faint, sweet odor, and is mainly used in the field of chemistry as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It is also used as a fragrance ingredient in perfumes and cosmetics. Additionally, it is used in the production of flavors and fragrances for the food and beverage industry. 4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone is also known for its mild irritant effects on the skin, eyes, and respiratory system, and should be handled with care in laboratory and industrial settings.

Upstream product

• 98-82-8 Isopropylbenzene 
• 4635-59-0 4-Chlorobutanoyl chloride 

Downstream Products

• 76811-98-8 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylbenzeneacetic acid 
• 83799-24-0 fexofenadine 
• 1313731-47-3 tert-butyl(4-(4-(hydroxyldiphenylmethyl)piperidin-1-yl)-1-(4-(2-bromopropan-2-yl)phenyl)butan-1-oxy)dimethylsilane 
• 1313731-46-2 tert-butyl(4-(4-(hydroxyldiphenylmethyl)piperidin-1-yl)-1-(4-isopropylphenyl)butan-1-oxy)dimethylsilane 
• 185066-40-4 4-(4'-(hydroxy(diphenyl)methyl)piperidin-1-yl)-1-(4-isopropylphenyl)butan-1-one 
• 873072-14-1 1-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-4-chloro-butan-1-one 
• 169280-04-0 1-[4-(1-Bromo-1-methyl-ethyl)-phenyl]-4-chloro-butan-1-one 
• 6952-91-6 Cyclopropyl-(4-isopropyl-phenyl)-methanone 
• 35981-66-9 (4-Bromomethyl-phenyl)-cyclopropyl-methanone 
• 123-56-8 Succinimide 
• 112933-72-9 (S)-1-Cyclopropyl-1-(4-isopropyl-phenyl)-2-methanesulfinyl-ethanol 

Relevant articles and documents

Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from: Mycobacterium tuberculosis to overcome kanamycin resistance

Tuberculosis (TB), caused by Mycobacterium tuberculosis (Mtb), is a deadly bacterial disease. Drug-resistant strains of Mtb make eradication of TB a daunting task. Overexpression of the enhanced intracellular survival (Eis) protein by Mtb confers resistance to the second-line antibiotic kanamycin (KAN). Eis is an acetyltransferase that acetylates KAN, inactivating its antimicrobial function. Development of Eis inhibitors as KAN adjuvant therapeutics is an attractive path to forestall and overcome KAN resistance. We discovered that an antipsychotic drug, haloperidol (HPD, 1), was a potent Eis inhibitor with IC50 = 0.39 ± 0.08 μM. We determined the crystal structure of the Eis-haloperidol (1) complex, which guided synthesis of 34 analogues. The structure-activity relationship study showed that in addition to haloperidol (1), eight analogues, some of which were smaller than 1, potently inhibited Eis (IC50 ≤ 1 μM). Crystal structures of Eis in complexes with three potent analogues and droperidol (DPD), an antiemetic and antipsychotic, were determined. Three compounds partially restored KAN sensitivity of a KAN-resistant Mtb strain K204 overexpressing Eis. The Eis inhibitors generally did not exhibit cytotoxicity against mammalian cells. All tested compounds were modestly metabolically stable in human liver microsomes, exhibiting 30-60% metabolism over the course of the assay. While direct repurposing of haloperidol as an anti-TB agent is unlikely due to its neurotoxicity, this study reveals potential approaches to modifying this chemical scaffold to minimize toxicity and improve metabolic stability, while preserving potent Eis inhibition. This journal is

The synthesis of ω-(2-aryl-1,3-dioxolan-2-yl)alkyl purine derivatives and their activity towards HIV reverse transcriptase

Novel derivatives of 6-substituted purines were synthesized by alkylation of 6-substituted purines with various 2-(chloroalkyl)-2-aryl-1,3-dioxolanes and related compounds. Their inhibitory properties toward HIV reverse transcriptase were studied. The structure-activity relationship within the synthesized compounds was found.

PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE

The invention is directed a process of preparing a compound of formula (I), wherein R1, R2, R3 and z are as defined herein.