35092-89-8

Basic information

• Product Name: 1-METHYL 2-NITROTEREPHTHALATE
• Synonyms: 2-NITROTEREPHTHALIC ACID-1-METHYLCARBOXYLATE;1-METHYL 2-NITROTEREPHTHALATE;4-CARBOMETHOXY-3-NITROBENZOIC ACID;3-NITRO-4-CARBOMETHOXYBENZOIC ACID;methyl hydrogen 2-nitroterephthalate;3-Nitro-4-(methoxycarbonyl)benzoic acid;3-Nitro-4-(methoxycarbonyl)benzoic acid 95%;Methylhydrogen-2-nitroterephthalat
• CAS NO: 35092-89-8
• Molecular Formula: C₉H₇NO₆
• Molecular Weight: 225.15
• EINECS: 252-360-5
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;C8 to C9;Carbonyl Compounds;Esters
• Mol File: 35092-89-8.mol
• Article Data: 12

Chemical Properties

• Melting Point: 176-178 °C(lit.)
• Boiling Point: 393.4 °C at 760 mmHg
• Flash Point: 191.7 °C
• Appearance: /
• Density: 1.484 g/cm³
• Vapor Pressure: 6.81E-07mmHg at 25°C
• Refractive Index: 1.594
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.09±0.10(Predicted)
• CAS DataBase Reference: 1-METHYL 2-NITROTEREPHTHALATE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYL 2-NITROTEREPHTHALATE(35092-89-8)
• EPA Substance Registry System: 1-METHYL 2-NITROTEREPHTHALATE(35092-89-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 1
• Hazardous Substances Data: 35092-89-8(Hazardous Substances Data)

Usage

General Description

1-Methyl 2-nitroterephthalate is a chemical compound with the molecular formula C9H7NO6. It is a nitro-substituted derivative of terephthalic acid, with a methyl group attached at the 1-position. This chemical is primarily used as an intermediate in the synthesis of various organic compounds, including pharmaceuticals and agrochemicals. It is also used in the production of dyes and pigments. 1-Methyl 2-nitroterephthalate has potential applications in the field of materials science, particularly as a building block for the synthesis of functionalized polymers. Due to its versatile reactivity and potential for functionalization, this compound is of interest to researchers and chemists in various industries.

InChI:InChI=1/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12)

Upstream product

• 120-61-6 1,4-benzenedicarboxylic acid dimethyl ester 
• 610-29-7 2-nitroterephthalic acid 
• 5292-45-5 dimethyl 2-nitroterephthalate 
• 74-88-4 methyl iodide 

Downstream Products

• 113061-34-0 N-(2,5-dimethyl-phenyl)-2-nitro-terephthalamic acid methyl ester 
• 60728-41-8 1-methyl-2-aminoterephthalate 
• 108540-95-0 2-ethoxycarbonylamino-terephthalic acid-1-methyl ester 
• 109411-51-0 2-nitro-N-phenyl-terephthalamic acid methyl ester 
• 113114-38-8 methyl 4-((3,4-dimethylphenyl)carbamoyl)-2-nitrobenzoate 
• 109588-88-7 N-(4-chloro-phenyl)-2-nitro-terephthalamic acid methyl ester 
• 132886-59-0 N-(2-methoxy-phenyl)-2-nitro-terephthalamic acid methyl ester 
• 56135-86-5 N-(2-chloro-phenyl)-2-nitro-terephthalamic acid methyl ester 
• 111587-58-7 N-(2,5-dimethoxy-phenyl)-2-nitro-terephthalamic acid methyl ester 
• 132886-62-5 2-nitro-N-o-tolyl-terephthalamic acid methyl ester 
• 852065-17-9 2-amino-N,N-diisopropyl-terephthalamic acid methyl ester 
• 852065-16-8 N,N-diisopropyl-2-nitro-terephthalamic acid methyl ester 
• 852065-18-0 N,N-diisopropyl-2-isopropylamino-terephthalamic acid methyl ester 
• 852065-19-1 N,N-diisopropyl-2-isopropylamino-terephthalamic acid 

Relevant articles and documents

Design, synthesis, and evaluation of compounds capable of reducing Pseudomonas aeruginosa virulence

Anti-virulence approaches in the treatment of Pseudomonas aeruginosa (PA)-induced infections have shown clinical potential in multiple in vitro and in vivo studies. However, development of these compounds is limited by several factors, including the lack of molecules capable of penetrating the membrane of gram-negative organisms. Here, we report the identification of novel structurally diverse compounds that inhibit PqsR and LasR-based signaling and diminish virulence factor production and biofilm growth in two clinically relevant strains of P. aeruginosa. It is the first report where potential anti-virulent agents were evaluated for inhibition of several virulence factors of PA. Finally, co-treatment with these inhibitors significantly reduced the production of virulence factors induced by the presence of sub-inhibitory levels of ciprofloxacin. Further, we have analyzed the drug-likeness profile of designed compounds using quantitative estimates of drug-likeness (QED) and confirmed their potential as hit molecules for further development.

PROCESS FOR PREPARATION OF 1-NITROBENZENE-2-ALKYLOXYCARBONYL-5-CARBOXYLIC ACID

The present invention relates to processes for preparation of 1 -nitrobenzene-2- alkyloxycarbonyl-5-carboxylic acid. In particular, the present invention relates to preparation of 1 -nitrobenzene-2-alkyloxycarbonyl-5-carboxylic acid by partial hydrolysis of diester of 1 -nitrobenzene 2,5-dicarboxylic acid in presence of hydrogen chloride.

Synthesis of a new fluorine-18-labeled bexarotene analogue for PET imaging of retinoid X receptor

The reference standard 2-fluoro-4-(1-(3,5,5,8,8-pentamethyl-5,6,7,8- tetrahydronaphthalen-2-yl)vinyl)benzoic acid was synthesized from 2,5-dimethyl-2,5-hexanediol and 2-fluoro-4-methylbenzoic acid in 10 steps with 3% overall chemical yield. The precursor 2-nitro-4-(1-(3,5,5,8,8-pentamethyl-5, 6,7,8-tetrahydronaphthalen-2-yl)vinyl)benzoic acid was synthesized from 2,5-dimethyl-2,5-hexanediol and dimethyl-2-nitroterephthalate in seven steps with 2% overall chemical yield. The target tracer 2-[18F]fluoro-4-(1- (3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl)benzoic acid was synthesized from its nitro-precursor by the nucleophilic substitution with K[18F]F/Kryptofix 2.2.2 and isolated by HPLC combined with solid-phase extraction (SPE) purification in 20-30% radiochemical yield with 37-370 GBq/μmol specific activity at end of bombardment (EOB).