393-85-1

Basic information

• Product Name: 2-NITRO-5-FLUOROBENZOIC ACID, METHYL ESTER
• Synonyms: METHYL 5-FLUORO-2-NITROBENZOATE;5-FLUORO-2-NITRO-BENZOIC ACID METHYL ESTER;2-NITRO-5-FLUOROBENZOIC ACID, METHYL ESTER;RARECHEM AL BF 0375;Methyl 5-fluoro-2-nitrobenzoate 98%;Methyl5-fluoro-2-nitrobenzoate98%;5-Fluor-2-nitrobenzoesuremethylester;3-Methoxycarbonyl-4-nitrofluorobenzene
• CAS NO: 393-85-1
• Molecular Formula: C₈H₆FNO₄
• Molecular Weight: 199.14
• Product Categories: Aromatic Esters;Aromatics Compounds;Aromatics
• Mol File: 393-85-1.mol
• Article Data: 12

Chemical Properties

• Melting Point: 40-42°C
• Boiling Point: 282℃
• Flash Point: 124℃
• Appearance: White/Low Melting Solid
• Density: 1.388
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Acetone, DMSO
• Water Solubility: Slightly soluble in water. Soluble in dimethyl sulfoxide and acetone.
• CAS DataBase Reference: 2-NITRO-5-FLUOROBENZOIC ACID, METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-NITRO-5-FLUOROBENZOIC ACID, METHYL ESTER(393-85-1)
• EPA Substance Registry System: 2-NITRO-5-FLUOROBENZOIC ACID, METHYL ESTER(393-85-1)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 393-85-1(Hazardous Substances Data)

Usage

Description

2-Nitro-5-fluorobenzoic Acid, Methyl Ester (CAS# 393-85-1) is an organic compound characterized by the presence of a nitro group at the 2nd position and a fluoro group at the 5th position on a benzene ring, with a methyl ester functional group attached. This molecule is known for its potential applications in various chemical and pharmaceutical processes due to its unique structural features.

Uses

Used in Organic Synthesis:
2-Nitro-5-fluorobenzoic Acid, Methyl Ester is used as an intermediate in organic synthesis for the production of various pharmaceuticals, agrochemicals, and other specialty chemicals. Its presence of both electron-withdrawing nitro and fluoro groups, along with the reactivity of the methyl ester, makes it a versatile building block for the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Nitro-5-fluorobenzoic Acid, Methyl Ester is utilized as a key component in the development of new drugs. Its unique structure allows for the creation of novel compounds with potential therapeutic properties, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
2-Nitro-5-fluorobenzoic Acid, Methyl Ester is also employed in the agrochemical sector for the synthesis of active ingredients in pesticides and herbicides. Its ability to form stable derivatives with biological activity makes it a valuable precursor in the development of effective crop protection agents.

InChI:InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3

Upstream product

• 67-56-1 methanol 
• 394-02-5 5-fluoro-2-nitrobenzoyl chloride 
• 455-68-5 methyl 3-fluorobenzoate 
• 320-98-9 5-fluoro-2-nitrobenzoic acid 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 77-78-1 dimethyl sulfate 
• 74-89-5 methylamine 

Downstream Products

• 319-24-4 2-amino-5-fluoro-benzoic acid methyl ester 
• 308804-97-9 Methyl 3-(4-{2-[3,6-dimethoxy-2-(3-methyloxycarbonyl-4-nitrophenoxy)phenyl]ethyl}phenoxy)-4-methoxybenzoate 
• 749863-29-4 methyl 5-(dimethylamino)-2-nitrobenzoate 
• 773851-04-0 5-fluoro-1H-benzo[c]isoxazol-3-one 
• 308805-05-2 Marchantin M trimethyl ether 
• 313520-26-2 C₂₈H₂₄O₅ 
• 308805-03-0 2-{2-[4-(5-Chloromethyl-2-methoxyphenoxy)phenyl]ethyl}-3-(3-chloromethylphenoxy)-1,4-dimethoxybenzene 
• 308805-02-9 [3-(4-{2-[2-(3-Hydroxymethylphenoxy)-3,6-dimethoxyphenyl]ethyl}phenoxy)-4-methoxyphenyl]methanol 
• 308805-00-7 Methyl 3-(4-{2-[3,6-dimethoxy-2-(3-methyloxycarbonylphenoxy)phenyl]ethyl}phenoxy)-4-methoxybenzoate 
• 308804-98-0 Methyl 3-(4-{2-[2-(4-amino-3-methyloxycarbonylphenoxy)-3,6-dimethoxyphenyl]ethyl}phenoxy)-4-methoxybenzoate 
• 1055974-04-3 5-(4-fluorophenoxy)-2-nitrobenzoic acid methyl ester 
• 221540-42-7 diethyl 3-methoxycarbonyl-4-nitrophenylmalonate 
• 50594-67-7 5-[(2-chloro-α,α,α-trifluoro-p-tolyl)oxy]-2-nitrobenzoic acid,methyl ester 
• 77227-78-2 2-fluoro-4-trifluoromethyl phenol 

Relevant articles and documents

Discovery of 5-(4-methylpiperazin-1-yl)-2-nitroaniline derivatives as a new class of SIRT6 inhibitors

SIRT6 is a deacetylase of histone H3 and inhibitors of SIRT6 have been thought as potential agents for treatment of diabetes. Herein we report the discovery of a series of new SIRT6 inhibitors containing the skeleton 1-phenylpiperazine. Among them, compound 5-(4-methylpiperazin-1-yl)-2-nitroaniline (6d) is the most potent one, which showed an IC50 value of 4.93 μM against SIRT6 in the Fluor de Lys (FDL) assay. It displayed KD values of 9.76 μM and 10 μM in surface plasmon resonance (SPR) and isothermal titration calorimetry (ITC) assays, respectively. In selectivity assay, 6d showed no activity against other members of the HDAC family (SIRT1-3 and HDAC1-11) at concentrations up to 200 μM. In a mouse model of type 2 diabetes, 6d could significantly increase the level of glucose transporter GLUT-1, thereby reducing blood glucose. Overall, this study provides a promising lead compound for subsequent drug discovery targeting SIRT6.

Synthesis of 2′,3′-dideoxynucleosides for automated DNA synthesis and pyrophosphorolysis activated polymerization

Methods for preparation of 2′,3′-dideoxynucleotides support structures, such as 2′,3′-dideoxyguanosine, 2′,3′-dideoxyadenosine, and 3′-deoxythymidine support structures are disclosed. Various methods of using such structures are also provided, such as their use for automated DNA synthesis and pyrophosphorolysis activated polymerization.

SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE

The present invention relates to substituted amino-quinazolinones of general formula (I) wherein the groups R1 to R14 and A, are defined as in the specification and claims and the use thereof for the treatment of Alzheimer's disease (AD) and similar diseases.