76918-64-4

Basic information

• Product Name: ETHYL 4-AMINO-3-NITROBENZOATE
• Synonyms: ETHYL 4-AMINO-3-NITROBENZOATE;ethyl 3-nitro-4-aminobenzoate;4-Amino-3-nitrobenzoic acid ethyl ester;Benzoic acid, 4-aMino-3-nitro-, ethyl ester
• CAS NO: 76918-64-4
• Molecular Formula: C₉H₁₀N₂O₄
• Molecular Weight: 210.19
• EINECS: 278-577-5
• Product Categories: Aromatic Esters
• Mol File: 76918-64-4.mol
• Article Data: 20

Chemical Properties

• Melting Point: 132 °C(Solv: methanol (67-56-1))
• Boiling Point: 398.5°C at 760 mmHg
• Flash Point: 194.8°C
• Appearance: /
• Density: 1.33g/cm³
• Vapor Pressure: 1.47E-06mmHg at 25°C
• Refractive Index: 1.591
• PKA: -2.52±0.10(Predicted)
• CAS DataBase Reference: ETHYL 4-AMINO-3-NITROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-AMINO-3-NITROBENZOATE(76918-64-4)
• EPA Substance Registry System: ETHYL 4-AMINO-3-NITROBENZOATE(76918-64-4)

Safety Data

• Hazardous Substances Data: 76918-64-4(Hazardous Substances Data)

Usage

General Description

ETHYL 4-AMINO-3-NITROBENZOATE is a chemical compound with the molecular formula C9H10N2O4. It is an organic compound that consists of a nitro group and an amino group attached to a benzoate moiety. This chemical is commonly used in the synthesis of pharmaceuticals and dyes, and it has applications in organic chemistry research. ETHYL 4-AMINO-3-NITROBENZOATE may have potential biological activities and is being studied for its potential use in medicinal chemistry. It is important to handle this chemical with care due to its potential hazardous properties.

InChI:InChI=1/C9H10N2O4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2,10H2,1H3

Upstream product

• 1539-06-6 3-nitro-4-acetamidobenzoic acid 
• 168473-87-8 ethyl 4-bromo-3-nitrobenzoate 
• 937625-32-6 ethyl 4-ethoxy-3-nitrobenzoate 
• 64-17-5 ethanol 
• 1588-83-6 4-amino-3-nitrobenzoic acid 
• 175204-17-8 ethyl 4-(acetylamino)-3-nitrobenzoate 
• 7664-41-7 ammonia 
• 367-80-6 ethyl 4-fluoro-3-nitrobenzoate 
• 453-71-4 3-nitro-4-fluorobenzoic acid 
• 959928-89-3 ethyl 4-(pyrimidin-2-ylamino)benzoate 

Downstream Products

• 37466-90-3 ethyl 3,4-diaminobenzoate 
• 41263-65-4 4-amino-3-nitrobenzamide 
• 175204-17-8 ethyl 4-(acetylamino)-3-nitrobenzoate 
• 861604-86-6 4-(2-chloro-acetylamino)-3-nitro-benzoic acid ethyl ester 
• 93415-80-6 N-(4'-Carboethoxy-2'-nitrophenyl)-5-amino-6-nitro-1,3-benzdioxol 
• 71005-26-0 4-azido-3-nitro-benzoic acid ethyl ester 
• 199535-31-4 4-[(Furan-2-carbonyl)-amino]-3-nitro-benzoic acid ethyl ester 
• 543740-76-7 4-amino-3-iodo-5-nitrobenzoic acid ethyl ester 
• 840531-23-9 ethyl 4-[(3-cyanobenzoyl)amino]-3-nitrobenzoate 
• 645409-72-9 ethyl 4-{[(E)-(dimethylamino)methylidene]amino}-3-iodo-5-nitrobenzoate 
• 89677-77-0 4-amino-3-iodo-5-nitrobenzoic acid 
• 199535-32-5 3-Amino-4-[(furan-2-carbonyl)-amino]-benzoic acid ethyl ester 
• 17348-71-9 5-Ethoxycarbonyl-benzofuroxan 
• 6924-72-7 Chinoxalin-6-carbonsaeure-ethylester 

Relevant articles and documents

Synthesis and Crystal Structures of Ethyl 2-(4-Methoxyphenyl)-1H-benzo[d]imidazole-5-carboxylate Dihydrate and Its Building Block 4-Fluoro-3-nitrobenzoic Acid

The title compound, ethyl 2-(4-methoxyphenyl)-1H-benzo[d]imidazole-5-carboxylate dihydrate (5), was synthesized and its crystal structure was studied by single-crystal X-ray diffraction technique. Compound 5 is crystallized in the centrosymmetric triclinic space group P1 ˉ with Z = 4 and Z′ = 2, and unit-cell parameters of a = 8.9190 (3) ?, b = 12.6888 (4) ?, c = 14.7111 (5) ?, α = 98.4855 (10)°, β = 101.6379 (9)°, γ = 95.4346 (10)° and V = 1599.43 (9) ?3. Its starting material, 4-fluoro-3-nitrobenzoic acid (1), is crystallized in the non-centrosymmetric monoclinic space group P21 and Z = 4 with unit-cell parameters of a = 3.7170 (4) ?, b = 12.6475 (13) ?, c = 15.5237 (15) ?, α = 90°, β = 91.9786 (16)°, γ = 90° and V = 729.35 (13) ?3. It was noted that strong hydrogen bonds play important roles in the crystal packing of both compounds, especially in 5, in which the co-crystallized water molecules act as both strong hydrogen bond donor and strong hydrogen bond acceptor. Graphical Abstract: Two molecule of compound 5 crystallized in a non symmetrical manner with four co-crystallized water molecules which play an important role in the crystal packing as strong hydrogen-bond donors. [Figure not available: see fulltext.].

COMPOUND AND METHOD FOR INHIBITING SIRTUIN ACTIVITIES

A compound of formula wherein R1 is selected from the group consisting of hydrogen, halogen, hydroxyl, carboxyl, alkyl of up to 5 carbon atoms, imidazolyl, piperazinyl, morpholinyl, benzyl, R4OH or R4COOH, where R4 is (CH2)m and m is an integer of from 1 to 4; R2 is selected from the group consisting of hydrogen, phenyl or 3-(2-oxopyrrolidin-l-yl) propyl; and R3 is hydrogen or alkyl of from 1-4 carbon atoms.

INDOLE COMPOUND AS INHIBITOR OF NECROSIS

The present invention relates to an indole compound represented by formula (1), a pharmaceutically acceptable salt or isomer thereof, a composition for prevention or treatment of necrosis and necrosis-associated diseases, and a method for preparing the composition, the composition comprising the indole compound or the pharmaceutically acceptable salt or isomer thereof as an active ingredient.