96686-51-0

Basic information

• Product Name: N-(4-BROMO-2-METHYLPHENYL)-2-CHLOROACETAMIDE
• Synonyms: Cosan 528;Cosan 528, 96686-51-0;Acetamide,N-(4-bromo-2-methylphenyl)-2-chloro-
• CAS NO: 96686-51-0
• Molecular Formula: C₉H₉BrClNO
• Molecular Weight: 262.54
• Mol File: 96686-51-0.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 372.3°Cat760mmHg
• Flash Point: 179°C
• Appearance: /
• Density: 1.578g/cm³
• Vapor Pressure: 9.72E-06mmHg at 25°C
• Refractive Index: 1.612
• CAS DataBase Reference: N-(4-BROMO-2-METHYLPHENYL)-2-CHLOROACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N-(4-BROMO-2-METHYLPHENYL)-2-CHLOROACETAMIDE(96686-51-0)
• EPA Substance Registry System: N-(4-BROMO-2-METHYLPHENYL)-2-CHLOROACETAMIDE(96686-51-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 96686-51-0(Hazardous Substances Data)

Usage

Description

N-(4-BROMO-2-METHYLPHENYL)-2-CHLOROACETAMIDE is a chemical compound with the molecular formula C9H8BrClNO. It is characterized by the presence of a bromo-methylphenyl group attached to an amide functional group, which is further connected to a 2-chloroacetyl moiety. N-(4-BROMO-2-METHYLPHENYL)-2-CHLOROACETAMIDE exhibits unique chemical properties and potential applications in various fields.

Uses

Used in Medical Wastewater Treatment:
N-(4-BROMO-2-METHYLPHENYL)-2-CHLOROACETAMIDE is used as a treatment agent for medical wastewater containing novel coronavirus. Its application is based on its ability to effectively neutralize and eliminate the virus from the wastewater, ensuring the safety and cleanliness of the treated water. N-(4-BROMO-2-METHYLPHENYL)-2-CHLOROACETAMIDE plays a crucial role in preventing the spread of the virus through contaminated water sources and protecting public health.

InChI:InChI=1/C9H9BrClNO/c1-6-4-7(10)2-3-8(6)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13)

Upstream product

• 79-04-9 chloroacetyl chloride 
• 583-75-5 4-Bromo-2-methylaniline 
• 95-53-4 o-toluidine 

Downstream Products

• 95844-06-7 N,N-diethyl-glycine-(4-bromo-2-methyl-anilide); hydrochloride 

Relevant articles and documents

Synthesis and Biological Evaluation of Dithiobisacetamides as Novel Urease Inhibitors

Thirty-eight disulfides containing N-arylacetamide were designed and synthesized in an effort to develop novel urease inhibitors. Biological evaluation revealed that some of the synthetic compounds exhibited strong inhibitory potency against both cell-free urease and urease in intact cell with low cytotoxicity to mammalian cells even at concentration up to 250 μM. Of note, 2,2′-dithiobis(N-(2-fluorophenyl)acetamide) (d7), 2,2′-dithiobis(N-(3,5-difluorophenyl)acetamide) (d24), and 2,2′-dithiobis(N-(3-fluorophenyl)acetamide) (d8) were here identified as the most active inhibitors with IC50 of 0.074, 0.44, and 0.81 μM, showing 32- to 355-fold higher potency than the positive control acetohydroxamic acid. These disulfides were confirmed to bind urease without covalent modification of the cysteine residue and to inhibit urease reversibly with a mixed inhibition mechanism. They also showed very good anti-Helicobacter pylori activities with d8 showing a comparable potency to the clinical used drug amoxicillin. The impressive in vitro biological profile indicated their immense potential as therapeutic agents to tackle H. pylori caused infections.

Thiazolidinedione "magic Bullets" Simultaneously Targeting PPARγand HDACs: Design, Synthesis, and Investigations of their in Vitro and in Vivo Antitumor Effects

Monotargeting anticancer agents suffer from resistance and target nonspecificity concerns, which can be tackled with a multitargeting approach. The combined treatment with HDAC inhibitors and PPARγagonists has displayed potential antitumor effects. Based on these observations, this work involves design and synthesis of molecules that can simultaneously target PPARγand HDAC. Several out of 25 compounds inhibited HDAC4, and six compounds acted as dual-targeting agents. Compound 7i was the most potent, with activity toward PPARγEC50 = 0.245 μM and HDAC4 IC50 = 1.1 μM. Additionally, compounds 7c and 7i were cytotoxic to CCRF-CEM cells (CC50 = 2.8 and 9.6 μM, respectively), induced apoptosis, and caused DNA fragmentation. Furthermore, compound 7c modulated the expression of c-Myc, cleaved caspase-3, and caused in vivo tumor regression in CCRF-CEM tumor xenografts. Thus, this study provides a basis for the rational design of dual/multitargeting agents that could be developed further as anticancer therapeutics.

Design, Synthesis, and Bioactivity of α-Ketoamide Derivatives Bearing a Vanillin Skeleton for Crop Diseases

A series of novel α-ketoamide derivatives bearing a vanillin skeleton were designed and synthesized. Bioactivity tests on virus and bacteria were performed. The results indicated that some compounds exhibited excellent antitobacco mosaic virus (TMV) activities, such as compound 34 exhibited an inactivation activity of 90.1percent and curative activity of 51.8percent and compound 28 exhibited a curative activity of 54.8percent at 500 μg mL-1, which is equivalent to that of the commercial ningnanmycin (inactivation of 91.9percent and curative of 51.9percent). Moreover, the in vitro antibacterial activity test illustrated that compounds 2, 22, and 33 showed much higher activities than commercial thiodiazole copper, which could be used as lead compounds or potential candidates. The findings of transmission electron microscopy and molecular docking indicated that the synthesized compounds exhibited strong and significant binding affinity to the TMV coat protein and could obstruct the self-assembly and increment of TMV particles. This study revealed that α-ketoamide derivatives bearing a vanillin skeleton could be used as a novel potential pesticide for controlling the plant diseases.