38753-50-3

Basic information

• Product Name: Benzene,1-(1-methylethoxy)-2-nitro-
• Synonyms: Ether,isopropyl o-nitrophenyl (7CI); 1-(1-Methylethoxy)-2-nitrobenzene;2-(Isopropyloxy)-1-nitrobenzene; 2-Isopropoxynitrobenzene; Isopropylo-nitrophenyl ether; o-Isopropoxynitrobenzene; o-Nitrophenyl isopropyl ether
• CAS NO: 38753-50-3
• Molecular Formula: C₉H₁₁NO₃
• Molecular Weight: 181.1885
• Mol File: 38753-50-3.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 277.2°C at 760 mmHg
• Flash Point: 123.1°C
• Appearance: /
• Density: 1.141g/cm³
• Vapor Pressure: 0.00775mmHg at 25°C
• Refractive Index: 1.525
• CAS DataBase Reference: Benzene,1-(1-methylethoxy)-2-nitro-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene,1-(1-methylethoxy)-2-nitro-(38753-50-3)
• EPA Substance Registry System: Benzene,1-(1-methylethoxy)-2-nitro-(38753-50-3)

Safety Data

• Hazardous Substances Data: 38753-50-3(Hazardous Substances Data)

Usage

Safety Profile

Moderately toxic by ingestion andintraperitoneal routes. A skin and eye irritant. Whenheated to decomposition it emits toxic fumes of NOx. Seealso NITRO COMPOUNDS OF AROMATICHYDROCARBONS.

InChI:InChI=1/C9H11NO3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3

Upstream product

• 6831-82-9 potassium isopropoxide 
• 88-73-3 2-Chloronitrobenzene 
• 67-63-0 isopropyl alcohol 
• 91-23-6 2-Nitroanisole 
• 88-75-5 2-hydroxynitrobenzene 
• 552-16-9 ortho-nitrobenzoic acid 
• 1992-48-9 Tetraisopropoxysilan 
• 15163-59-4 potassium o-nitrobenzoate 
• 1493-27-2 ortho-nitrofluorobenzene 
• 683-60-3 sodium isopropylate 
• 75-30-9 2-iodo-propane 
• 75-26-3 isopropyl bromide 

Downstream Products

• 1538593-63-3 2-(chloromethyl)-3-(2-isopropoxyphenyl)quinazolin-4(3H)-one 
• 1538593-64-4 3-(2-isopropoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4(3H)-one 
• 1538593-65-5 2-((4-(2-(4-chlorophenoxy)ethanoyl)piperazin-1-yl)methyl)-3-(2-isopropoxyphenyl)quinazolin-4(3H)-one 
• 908554-54-1 N-(2-isopropoxyphenyl)benzamide 
• 870249-29-9 2-[(2-hydroxy-ethyl)-(2-isopropoxy-phenyl)-amino]-ethanol 
• 870249-31-3 4-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-cyclohexylamine 
• 1400637-48-0 C₂₀H₂₄FNO₄ 
• 1400637-91-3 C₁₈H₂₃NO₃ 
• 1400637-76-4 C₂₀H₂₄BrNO₄ 
• 1323064-53-4 C₄₂H₃₁NO₄ 
• 1027344-30-4 ethyl 2-(3'-chloro-5'-trifluoromethyl-pyridin-2'-yl)-2-(3''-isopropoxy-4''-nitrophenyl)propanoate 
• 740028-28-8 2-(2-Isopropoxy-phenylamino)-1-phenyl-propan-1-one 
• 98771-57-4 ethyl 1,6-dihydro-2-[2-(1-methylethoxy)anilino]-6-oxo-5-pyrimidinecarboxylate 
• 98772-03-3 2-(2-Isopropoxy-phenylamino)-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid 

Relevant articles and documents

Boron-Promoted Ether Interchange Reaction: Synthesis of Alkyl Nitroaromatic Ethers from Methoxynitroarenes

The first protocol for boron-promoted ether interchange reaction of methoxynitroarenes was described. A series of methoxynitroarenes and alcohols, including primary, secondary, as well as tertiary alcohols were reacted smoothly in moderate to good yields under the optimized reaction conditions. This protocol constitutes an operationally simple and scalable strategy for the synthesis of alkyl nitroaromatic ethers. Moreover, the new reactivity of boron reagents was discovered.

Modulators of the nuclear hormone receptor ROR

The invention provides small molecule modulators of retinoic acid receptor-related orphan receptors such as RORα, RORβ, or RORγ, of formula with the variable atoms as defined herein and R1 comprising a hydroxyl- or alkoxyl-substituted fluoroalkyl group. Compounds of the invention can be effective modulators at concentrations ineffective to act on LXR receptors, or on other nuclear receptors, or other biological targets. Methods of modulation the RORs and methods of treating metabolic disorders, immune disorders, cancer, and CNS disorders wherein modulation of an ROR is medically indicated are also provided.

Synthesis of aryl ethers from aromatic carboxylic acids

A silver/copper bimetallic catalyst system promotes the decarboxylative Chan-Evans-Lam alkoxylation of ortho-substituted aromatic carboxylate salts with tetraalkyl orthosilicates or triaryl borates. Non-ortho-substituted carboxylates are alkoxylated via an ortho-C-H-alkoxylation with concomitant cleavage of the carboxylate directing group via protodecarboxylation. This way, meta-substituted carboxylates are converted into para-substituted alkoxyarenes and vice versa. The combined processes provide a convenient synthetic entry to the important class of aromatic ethers from widely available carboxylic acids.