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 
• 74-88-4 methyl iodide 
• 5292-45-5 dimethyl 2-nitroterephthalate 

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 
• 55737-62-7 methyl 4-(chlorocarbonyl)-2-nitrobenzoate 
• 147291-52-9 tert-butyl 4-(methoxycarbonyl)-3-nitrobenzoate 
• 135964-75-9 methyl 4-(hydroxymethyl)-2-nitrobenzoate 
• 913078-84-9 methyl 2-amino-4-{[2-{isobutyl[(5-methyl-2-furyl)sulfonyl]amino}-5-(trifluoromethyl)phenoxy]methyl}benzoate 

Relevant articles and documents

Method for preparing 2-amino-4-aminomethyl methyl benzoate and hydrochloride thereof

The invention relates to the field of organic synthesis, and discloses a method for preparing 2-amino-4-aminomethyl methyl benzoate and hydrochloride thereof. The method comprises the following steps:1) sequentially contacting dimethyl terephthalate with a nitration reagent and acetic acid to obtain 3-nitro-4-methoxycarbonyl benzoic acid; (2) converting the 3-nitro-4-methoxycarbonyl benzoic acidinto 2-nitro-4-methoxycarbonyl benzoyl chloride, and enabling the 2-nitro-4-methoxycarbonyl benzoyl chloride to be in contact with ammonia gas so as to obtain methyl 2-nitro-4-formylaminobenzoate; 3)performing dehydration reaction on the 2-nitro-4-formylaminobenzoic acid methyl ester to obtain 2-nitro-4-cyanobenzoic acid methyl ester, and 4) performing reduction reaction on the 2-nitro-4-cyanobenzoic acid methyl ester to obtain 2-amino-4-aminomethyl benzoate. The preparation method has the advantages of high yield, high purity and environmental protection.

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).