18731-45-8

Basic information

• Product Name: Benzenemethanol, 3-nitro-a-(nitromethyl)-
• Synonyms: 2-Nitro-1-(3-nitro-phenyl)-aethanol;1-(3-nitrophenyl)-2-nitroethanol;2-nitro-1-(3-nitrophenyl)ethanol;(+/-)-2-Nitro-1-hydroxy-1-(3-nitro-phenyl)-aethan;2-nitro-1-(3-nitro-phenyl)-ethanol
• CAS NO: 18731-45-8
• Molecular Formula: C8H8N2O5
• Molecular Weight: 212.162
• Mol File: 18731-45-8.mol
• Article Data: 73

Chemical Properties

• CAS DataBase Reference: Benzenemethanol, 3-nitro-a-(nitromethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanol, 3-nitro-a-(nitromethyl)-(18731-45-8)
• EPA Substance Registry System: Benzenemethanol, 3-nitro-a-(nitromethyl)-(18731-45-8)

Safety Data

• Hazardous Substances Data: 18731-45-8(Hazardous Substances Data)

Upstream product

• 75-52-5 nitromethane 
• 99-61-6 3-nitro-benzaldehyde 

Downstream Products

• 882-26-8 3-nitro-β-nitrostyrene 
• 618-95-1 methyl 3-nitrobenzoate 
• 14367-80-7 2-nitro-1-(3-nitrophenyl)ethan-1-one 
• 854180-09-9 2-nitro-1-(3-nitrophenyl)ethyl acetate 
• 1336918-17-2 (R)-2-nitro-1-(3-nitrophenyl)ethyl acetate 
• 882-26-8 (E)-1-nitro-3-(2-nitrovinyl)benzene 
• 20105-50-4 (+/-)-2-(m-Amino-phenyl)-2-phenyl-ethylamin 

Relevant articles and documents

Chiral oxazoline ligands with two different six-membered azaheteroaromatic rings - Synthesis and application in the Cu-catalyzed nitroaldol reaction

Synthesis and catalytic activity of chiral ligands 5,6-diphenyl-3-{3-[(4S/R)-4-R/Ar-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl}amino-1,2,4-triazines 2 and their analogs 3 possessing an N-oxide function in the pyridine ring are described. The pivotal step in the synthesis of ligands 2 is the Buchwald-Hartwig Pd-catalyzed cross-coupling reaction between 3-bromo-5,6-diphenyl-1,2,4-triazine (7a) and enantiopure 3-(4,5-dihydro-1,3-oxazol-2-yl)pyridin-2-amines 6a-d. Aromatic nucleophilic substitution of chlorine in 3-chloro-5,6-diphenyl-1,2,4-triazine (7b) with 3-(4,5-dihydro-1,3-oxazol-2-yl)pyridin-2-amine 1-oxides 12 was investigated as the key reaction in the synthesis of ligands 3. Two undesired derivatives 13 or 14, resulting from unexpected reactions of 3, were isolated depending on reaction conditions. Compounds 2 and 3 as well as the side products 13 and 14 were screened as chiral ligands in the copper catalyzed enatioselective nitroaldol reaction.

Highly efficient nanosized mesoporous CuMgAl ternary oxide catalyst

Highly efficient nanosized mesoporous CuMgAl ternary oxide catalysts are provided.

Synthesis of nitroaldols through the Henry reaction using a copper(II)–Schiff base complex anchored on magnetite nanoparticles as a heterogeneous nanocatalyst

A Cu(II)-Schiff base complex supported on functionalized Fe3O4 magnetic nanoparticles (MNPs@Salen-Cu(II)) was obtained as a new heterogeneous nanocatalyst. The nanocomposite materials were characterized by vibrating sample magnetometer (VSM), X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray (EDX), Fourier transform infrared spectroscopy (FT-IR), and thermogravimetric analysis (TGA). The catalyst was used in the Henry reaction in order to accomplish one-pot synthesis of nitroaldol derivatives in green conditions. This nanocatalyst can be easily separated from media of reaction using an external magnet and reused several times without loss of its catalytic activity. Furthermore, the non-toxicity of the catalysts and the high yield of the products are other advantages of this method.

Accelerating the optimization of enzyme-catalyzed synthesis conditionsviamachine learning and reactivity descriptors

Enzyme-catalyzed synthesis reactions are of crucial importance for a wide range of applications. An accurate and rapid selection of optimal synthesis conditions is crucial and challenging for both human knowledge and computer predictions. In this work, a