41734-55-8

Basic information

• Product Name: 5-NITROINDENE
• Synonyms: 5-NITROINDENE;5-nitroindene 98%;5-nitro-1H-indene;1H-Indene, 5-nitro-
• CAS NO: 41734-55-8
• Molecular Formula: C₉H₇NO₂
• Molecular Weight: 161.16
• Mol File: 41734-55-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 283.4 °C at 760 mmHg
• Flash Point: 136.9 °C
• Appearance: /
• Density: 1.303 g/cm³
• Vapor Pressure: 0.00542mmHg at 25°C
• Refractive Index: 1.64
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 5-NITROINDENE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-NITROINDENE(41734-55-8)
• EPA Substance Registry System: 5-NITROINDENE(41734-55-8)

Safety Data

• Hazardous Substances Data: 41734-55-8(Hazardous Substances Data)

Usage

General Description

5-NITROINDENE is a chemical compound with the molecular formula C9H7NO2. It is a yellow solid with a nitro group attached to a benzene ring. This chemical is primarily used in research and pharmaceutical industry as a building block in the synthesis of various organic compounds. It is also used in the production of dyes, pigments, and pharmaceutical intermediates. 5-NITROINDENE is a potent electron acceptor and can undergo various chemical reactions such as reduction, oxidation, and substitution. It is important to handle this compound with caution as it may be harmful if ingested, inhaled, or absorbed through the skin.

InChI:InChI=1/C9H7NO2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2

Upstream product

• 119273-81-3 6-nitro-2,3-dihydro-1H-inden-1-ol 
• 83-33-0 inden-1-one 
• 24623-24-3 6-nitroindan-1-one 
• 496-11-7 INDANE 
• 7732-18-5 water 
• 185230-66-4 6-nitro-indan-1-ylamine; hydrochloride 
• 7647-01-0 hydrogenchloride 

Downstream Products

• 59856-06-3 5-acetamidoindane 
• 75476-83-4 7-Iodoisoquinoline 
• 75476-79-8 5-Iodoindene 
• 16513-67-0 5-nitro-2,3-dihydro-1H-inden-2-ol 
• 13058-73-6 7-nitroisoquinoline 

Relevant articles and documents

Benzo heterocyclic derivatives, their preparation and their use in medicine (by machine translation)

The present invention relates to benzo heterocyclic derivatives, their preparation and their use in medicine. In particular, the invention relates to a general formula (I) indicated by the compound, the compound has anti-tumor of the use, the inhibition of angiogenesis and as the role of the HIF - 1 α inhibitors in the medical application. Wherein the general formula (I) of each substituent in the definition in the description of the same. (by machine translation)

Development of a practical synthesis of an aminoindanol-derived m1 agonist

An efficient and scalable synthesis of the clinical candidate 1 is described. The first-generation synthesis built the enantioenriched nitro-aminoindanol core from 6-nitroindanone using a five-step literature route. The second-generation route used a safe aromatic nitration protocol in the presence of the unprotected alcohol to afford the requisite nitro-aminoindanol in one step. Challenges addressed in the remainder of the synthesis include a nitro group reduction to afford ppm levels of unreacted Ar-NO2 (a mutagen) and a novel amidine formation under mild conditions via DMAP/K2CO3-promoted reaction with a thioimidate-activated amide. A convenient protocol for freebasing the API was provided by stirring with solid K2CO3 and monitoring disappearance of HI by reverse-phase HPLC.

Photoaddition of Water and Alcohols to 3-Nitrostyrenes. Structure-Reactivity and Solvent Effects

The photoadditions of water and several alcohols to the triplet excited states of 3-nitrostyrenes 1, 3-5, and 8 to give the corresponding anti-Markovnikov addition products are reported.Both 3- and 4-nitrostilbenes (6 and 7, respectively) do not undergo photoaddition on direct or sensitized irradiation in aqeous or alcohol solutions; only trans to cis photoisomerisation is observed.It is proposed that for the nitrostilbenes, efficient twisting of the alkene in the triplet excited state competes favorably with photoaddition.The efficient photoaddition of the water and methanol observed for 5-nitroindene (8)-the alkene moiety of which cannot attain an orthogonal ("twisted") state-is taken as additional evidence that these photoadditions probably occur via the planar triplet state and that twisting results in only deactivation to the ground state.The use of cosolvents (CH3CN and HCONH2) on several photoadditions is also reported.For example, use of CH3CN cosolvent in aqueous solution decreases the efficiency of photohydration in the parent 3-nitrostyrene (1) but is observed to enhance the efficiency of reaction (until about 40-70 mol percent CH3CN, depending on the substrate) for 3, 4, and 8.Quantum yields for photohydration and photoaddition of alcohols are reported for several systems.