7214-61-1

Basic information

• Product Name: (1-NITROETHYL)BENZENE
• Synonyms: 1-Nitro-1-phenylethane;1-Phenyl-1-nitroethane;α-Nitroethylbenzene
• CAS NO: 7214-61-1
• Molecular Formula: C₈H₉NO₂
• Molecular Weight: 151.1626
• Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives
• Mol File: 7214-61-1.mol
• Article Data: 22

Chemical Properties

• Melting Point: 9.5-10.5 °C
• Boiling Point: 228°Cat760mmHg
• Flash Point: 93.3°C
• Appearance: /
• Density: 1.113g/cm³
• Vapor Pressure: 0.0752mmHg at 25°C
• Refractive Index: 1.528
• PKA: 7.32±0.10(Predicted)
• CAS DataBase Reference: (1-NITROETHYL)BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: (1-NITROETHYL)BENZENE(7214-61-1)
• EPA Substance Registry System: (1-NITROETHYL)BENZENE(7214-61-1)

Safety Data

• Hazardous Substances Data: 7214-61-1(Hazardous Substances Data)

Usage

General Description

(1-Nitroethyl)benzene is a chemical compound with the molecular formula C8H9NO2 that is used in the production of various chemicals and pharmaceuticals. It is a nitroalkane derivative of benzene and is commonly used in the synthesis of other organic compounds. (1-Nitroethyl)benzene is a colorless to pale yellow liquid that is insoluble in water but soluble in organic solvents. It is mainly used as an intermediate in the production of dyes, pesticides, and pharmaceuticals. However, it is also considered to be a hazardous chemical and should be handled with care due to its potential toxicity and harmful effects on human health and the environment.

InChI:InChI=1/C8H9NO2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3

Upstream product

• 544-16-1 n-Butyl nitrite 
• 100-41-4 ethylbenzene 
• 585-71-7 (1-bromoethyl)benzne 
• 672-65-1 (1-chloroethyl)benzene 
• 79-24-3 Nitroethane 
• 802294-64-0 propionic acid 
• 618-36-0 rac-methylbenzylamine 
• 3756-41-0 (S)-(1-chloroethyl)benzene 
• 507233-69-4 triphenyl bismuth ⁽²⁺⁾; dichloride 
• 98-86-2 acetophenone 
• 108-86-1 bromobenzene 
• 98-85-1 1-Phenylethanol 
• 10341-75-0 (E)-1-phenylethanone oxime 
• 71-43-2 benzene 

Downstream Products

• 6196-95-8 1,2-dimethyl-4-(1-phenylethyl)benzene 
• 40390-78-1 [(1-phenylethyl)thio]benzene 
• 104330-11-2 3,3-dimethyl-2-phenyl-2-nitrobutane 
• 78176-27-9 1,1,-diphenyl-1-nitroethane 
• 10341-75-0 (E)-1-phenylethanone oxime 
• 2912-98-3 N-(1-phenyl-ethyl)-hydroxylamine 
• 84065-83-8 1-nitro-1-(phenylsulfonyl)-1-phenylethane 
• 135921-62-9 E-2-(2-phenyl propen-1-yl) 3-nitroimidazo<1,2-a>pyridine 
• 97945-40-9 (E)-1-methyl 2-(2-phenyl propen-1-yl) 5-nitroimidazole 
• 105555-81-5 1-Methyl-5-nitro-2-((E)-2-phenyl-propenyl)-1H-imidazole 
• 612-00-0 1,1'-ethylidenebis-benzene 
• 613-91-2 acetophenone oxime 
• 111286-45-4 C₈H₈NO₂^(1-) 
• 98-86-2 acetophenone 

Relevant articles and documents

Nickel-Catalyzed NO Group Transfer Coupled with NOxConversion

Nitrogen oxide (NOx) conversion is an important process for balancing the global nitrogen cycle. Distinct from the biological NOx transformation, we have devised a synthetic approach to this issue by utilizing a bifunctional metal catalyst for producing value-added products from NOx. Here, we present a novel catalysis based on a Ni pincer system, effectively converting Ni-NOx to Ni-NO via deoxygenation with CO(g). This is followed by transfer of the in situ generated nitroso group to organic substrates, which favorably occurs at the flattened Ni(I)-NO site via its nucleophilic reaction. Successful catalytic production of oximes from benzyl halides using NaNO2 is presented with a turnover number of >200 under mild conditions. In a key step of the catalysis, a nickel(I)-?NO species effectively activates alkyl halides, which is carefully evaluated by both experimental and theoretical methods. Our nickel catalyst effectively fulfills a dual purpose, namely, deoxygenating NOx anions and catalyzing C-N coupling.

Synthesis of Isoxazolines from Nitroalkanes via a [4+1]-Annulation Strategy

A novel access to isoxazolines was developed using the [4+1]-annulation of α-keto-stabilized sulfur ylides with N,N-bis(siloxy)enamines derived from aliphatic nitro compounds. The resulting 5-keto-substituted isoxazolines were shown to be convenient precursors of polysubstituted 3-hydroxypyrrolidines via the one-pot catalytic N?O hydrogenolysis/intramolecular reductive amination sequence. Application of this approach to the formal synthesis of Merck's potent NK1 receptor antagonist was demonstrated. (Figure presented.).

Green synthesis method for preparing nitroalkanes by oxime oxidation

The invention belongs to the field of organic chemical industries, and provides a green synthesis method for preparing nitroalkanes by oxime oxidation. At the temperature of 55 to 120 DEG C and under the pressure of 0 to 1.0 MPa, oxime, a solvent and hydrogen peroxide are reacted for 20 to 200min in the presence of certain amounts of nanoporous skeleton metal hybrid catalysts and cocatalysts, a reaction liquid is subjected to membrane separation, the catalysts can be repeatedly used for more than 7 times, and distilled to obtain nitroalkane products, the purity of the products is not less than 99%, and the yield of the products is not less than 95%. Furthermore, the green synthesis method for preparing nitroalkanes by the oxime oxidation disclosed by the invention is a green synthesis method of nitroalkanes, and suitable for large-scale industrialized production.