451-81-0

Basic information

• Product Name: 2-(2'-FLUOROPHENYL)-ACETYL-CHLORIDE
• Synonyms: 2-FLUOROPHENYLACETYL CHLORIDE;2-(2'-FLUOROPHENYL)-ACETYL-CHLORIDE;O-fluorobenzene chloride;2-(2-Fluorophenyl)ethanoyl chloride
• CAS NO: 451-81-0
• Molecular Formula: C₈H₆ClFO
• Molecular Weight: 172.58
• EINECS: 240-677-1
• Mol File: 451-81-0.mol
• Article Data: 28

Chemical Properties

• Boiling Point: 220.096 ºC at 760 mmHg
• Flash Point: 86.911 ºC
• Appearance: /
• Density: 1.278g/cm³
• Vapor Pressure: 0.115mmHg at 25°C
• Refractive Index: 1.515
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 2-(2'-FLUOROPHENYL)-ACETYL-CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2'-FLUOROPHENYL)-ACETYL-CHLORIDE(451-81-0)
• EPA Substance Registry System: 2-(2'-FLUOROPHENYL)-ACETYL-CHLORIDE(451-81-0)

Safety Data

• Hazardous Substances Data: 451-81-0(Hazardous Substances Data)

Usage

General Description

2-(2'-fluorophenyl)-acetyl-chloride is a chemical compound with the molecular formula C8H6ClFO. It is an acetyl chloride derivative with a fluorine-substituted phenyl ring. 2-(2'-FLUOROPHENYL)-ACETYL-CHLORIDE is often utilized in organic synthesis to create various pharmaceuticals and agrochemicals. It is also used as an intermediate in the production of dyes, perfumes, and other fine chemicals. 2-(2'-fluorophenyl)-acetyl-chloride is a reactive compound that must be handled with caution due to its corrosive and toxic properties. It is crucial to use proper safety measures and equipment when working with this chemical.

InChI:InChI=1/C8H6ClFO/c9-8(11)5-6-3-1-2-4-7(6)10/h1-4H,5H2

Upstream product

• 451-82-1 (2-fluorophenyl)acetic acid 

Downstream Products

• 2251-22-1 (2-fluoro-phenyl)-acetic acid-(2-piperidino-ethyl ester) 
• 121989-42-2 2-(2-Fluoro-phenyl)-N-methoxy-acetamide 
• 116344-88-8 1-[(2-fluorophenyl)acetyl]-1,2,3,4-tetrahydrobenzo[c]-1,5-naphthyridine 
• 326-63-6 2-(2-fluorophenyl)acetamide 
• 423184-28-5 1-diazo-3-(2-fluoro-phenyl)-propan-2-one 
• 162938-86-5 methyl 4-[4-[1-(4-chlorophenylsulfonylamino)-2-(2-fluorophenyl)ethyl]phenyl]butyrate 
• 162941-59-5 4-{4-[1-Amino-2-(2-fluoro-phenyl)-ethyl]-phenyl}-butyric acid methyl ester 
• 153529-23-8 2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethan-1-ol 
• 216754-32-4 3-[2-(2-fluorophenyl)-1-oxoethyl]-4-(R)-phenyl-2-oxazolidinone 
• 172402-47-0 1-[1-methyl-1-(3-chloro-5-fluorophenyl)ethyl]-4,5-dimethyl-3-(2-fluorophenyl)-3-pyrroline-2-one 
• 172402-66-3 1-[1-methyl-1-(3,4-dichlorophenyl)ethyl]-4,5-dimethyl-3-(2-fluorophenyl)-3-pyrroline-2-one 
• 1227266-18-3 C₁₆H₁₁FO₂ 

Relevant articles and documents

Design, synthesis, biological evaluation and silico prediction of novel sinomenine derivatives

Sinomenine is a morphinan alkaloid with a variety of biological activities. Its derivatives have shown significant cytotoxic activity against different cancer cell lines in many studies. In this study, two series of sinomenine derivatives were designed and synthesized by modifying the active positions C1 and C4 on the A ring of sinomenine. Twenty‐three compounds were synthesized and characterized by spectroscopy (IR,1H‐NMR,13C‐NMR, and HRMS). They were further evaluated for their cytotoxic activity against five cancer cell lines, MCF‐7, Hela, HepG2, SW480 and A549, and a normal cell line, Hek293, using MTT and CCK8 methods. The chlorine‐containing compounds exhibited significant cytotoxic activity compared to the nucleus structure of sinomenine. Furthermore, we searched for cancer‐related core targets and verified their interaction with derivatives through molecular docking. The chlorine‐containing compounds 5g, 5i, 5j, 6a, 6d, 6e, and 6g exhibited the best against four core targets AKT1, EGFR, HARS and KARS. The molecular docking results were consistent with the cytotoxic results. Overall, results indicate that chlorine‐containing derivatives might be a promising lead for the development of new anticancer agents.

Quantitative activity-activity relationship (QAAR) driven design to develop hydroxamate derivatives of pentanoic acids as selective HDAC8 inhibitors: synthesis, biological evaluation and binding mode of interaction studies

Histone deacetylase 8 (HDAC8) has been implicated as a potential drug target of many diseases including cancer. HDAC8 isoform selectivity over other class-I HDACs is a major concern nowadays. In this work, a series of pentanoic acid based hydroxamates wit

Phosphonic acid analogs of fluorophenylalanines as inhibitors of human and porcine aminopeptidases N: Validation of the importance of the substitution of the aromatic ring

A library of phosphonic acid analogs of phenylalanine substituted with fluorine, chlorine and trifluoromethyl moieties on the aromatic ring was synthesized and evaluated for inhibitory activity against human (hAPN) and porcine (pAPN) aminopeptidases. Fluorogenic screening indicated that these analogs are micromolar or submicromolar inhibitors, both enzymes being more active against hAPN. In order to better understand the mode of the action of the most active compounds, molecular modeling was used. It confirmed that aminophosphonic portion of the enzyme is bound nearly identically in the case of all the studied compounds, whereas the difference in activity results from the placement of aromatic side chain of an inhibitor. Interestingly, both enantiomers of the individual compounds are usually bound quite similarly.