6531-13-1

Basic information

• Product Name: 1-(4-NITROPHENYL)ETHANOL
• Synonyms: 4-NITROPHENYLMETHYLCARBINOL;1-(4-NITROPHENYL)ETHANOL;(S)-1-(4-NITRO-PHENYL)-ETHANOL;(1S)-1-(4-Nitrophenyl)ethanol;(S)-4-Nitro-α-methylbenzyl alcohol;(S)-α-Methyl-4-nitrobenzyl alcohol;(αS)-α-Methyl-4-nitrobenzyl alcohol;[S,(-)]-α-Methyl-p-nitrobenzyl alcohol
• CAS NO: 6531-13-1
• Molecular Formula: C₈H₉NO₃
• Molecular Weight: 167.16
• Product Categories: Benzhydrols, Benzyl & Special Alcohols
• Mol File: 6531-13-1.mol
• Article Data: 406

Chemical Properties

• Melting Point: 30-32 °C
• Boiling Point: 137-138 °C(Press: 2 Torr)
• Appearance: /
• Density: 1.263±0.06 g/cm3(Predicted)
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), methanol (Slightly)
• PKA: 13.68±0.20(Predicted)
• CAS DataBase Reference: 1-(4-NITROPHENYL)ETHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-NITROPHENYL)ETHANOL(6531-13-1)
• EPA Substance Registry System: 1-(4-NITROPHENYL)ETHANOL(6531-13-1)

Safety Data

• Hazardous Substances Data: 6531-13-1(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 54, p. 949, 1989 DOI: 10.1021/jo00265a040Tetrahedron Letters, 24, p. 2575, 1983 DOI: 10.1016/S0040-4039(00)81985-1

InChI:InChI=1/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3

Upstream product

• 917-54-4 methyllithium 
• 555-16-8 4-nitrobenzaldehdye 
• 108-22-5 Isopropenyl acetate 
• 100-19-6 (4-nitrophenyl)ethanone 
• 97-72-3 2-Methylpropionic anhydride 
• 1115-99-7 triethyl gallium 
• 544-97-8 dimethyl zinc(II) 
• 108-05-4 vinyl acetate 
• 3068-88-0 4-methyloxetan-2-one 
• 2747-38-8 methyltrichlorotitanium 
• 18006-13-8 methyltriisopropoxytitanium(IV) 
• 75-89-8 2,2,2-trifluoroethanol 
• 107-21-1 ethylene glycol 
• 82925-36-8 1-tosyl-1-(p-nitrophenyl)ethane 

Downstream Products

• 34887-69-9 1-(4-nitrophenyl)ethyl diphenylphosphinate 
• 6531-13-1 (S)-1-[4-nitrophenyl]ethanol 
• 6531-13-1 (1R)-1-(4-nitrophenyl)ethanol 
• 19759-27-4 (1R)-1-(4-nitrophenyl)ethyl acetate 
• 171334-87-5 (R)-(4-Chloro-phenyl)-fluoro-acetic acid (S)-1-(4-nitro-phenyl)-ethyl ester 
• 100-13-0 4-nitrostyrene 
• 19935-75-2 1-(1-chloroethyl)-4-nitrobenzene 
• 19935-81-0 4-nitro-(1-bromoethyl)benzene 
• 147-82-0 2,4,6-tribromoaniline 
• 75-07-0 acetaldehyde 
• 619-90-9 4-nitrobenzyl acetate 
• 100-19-6 (4-nitrophenyl)ethanone 
• 82415-00-7 C₈H₈NO₂⁽¹⁺⁾ 
• 485842-62-4 (S)-1-(4-nitrophenyl)ethyl acetate 

Relevant articles and documents

Polyoxometalate-Incorporated Framework as a Heterogeneous Catalyst for Selective Oxidation of C-H Bonds of Alkylbenzenes

Developing new catalysts for highly efficient and selective oxidation of saturated C-H bonds is significant due to their thermodynamic strength. Via incorporation of PW12O403-, pyridine-2,5-dicarboxylic acids (pydc), and Fe(III) ions into one framework, a new polyoxometalate-based metal-organic framework, [HFe4O2(H2O)4(pydc)3PW12O40]·10.5H2O (FeW-PYDC), was successfully prepared by a hydrothermal method. Interestingly, FeW-PYDC features a three-dimensional porous structure with {Fe4O2} interconnecting with PW12O403- units. FeW-PYDC displayed excellent performance in the selective oxidation of C-H bonds of alkylbenzenes with high conversion (95.7%) and selectivity (96.6%). As an effective heterogeneous catalyst, FeW-PYDC demonstrates good reusability and structural stability.

Synthesis of new rhodium(III) complex by benzylic C[sbnd]S bond cleavage of thioether containing NNS donor Schiff base ligand: Investigation of catalytic activity towards transfer hydrogenation of ketones

A new rhodium(III)-triphenylphosphine mixed ligand complex, [Rh(PPh3)(L)Cl2] (1) is synthesized by benzylic C[sbnd]S bond cleavage of L-CH2Ph ligand (where, L-CH2Ph = 2-(benzylthio)-N-(pyridin-2-ylmethylene)aniline). The complex is thoroughly characterized by several spectroscopic techniques. Geometry of the complex is confirmed by single crystal X-ray crystallography. Electronic structure, redox properties, absorption and emission properties of the complex were studied. DFT and TDDFT calculations were carried out to interpret the electronic structure and absorption properties of the complex respectively. The synthesized Rh(III) complex was tested as catalyst towards transfer hydrogenation reaction of ketones in iPrOH and an excellent catalytic conversion was observed under mild conditions.

Method for synthesizing secondary alcohol in water phase

The invention discloses a method for synthesizing secondary alcohol in a water phase. The method comprises the following steps: taking ketone as a raw material, selecting water as a solvent, and carrying out catalytic hydrogenation reaction on the ketone in the presence of a water-soluble catalyst to obtain the secondary alcohol, wherein the catalyst is a metal iridium complex [Cp * Ir (2, 2'-bpyO)(OH)][Na]. Water is used as the solvent, so that the use of an organic solvent is avoided, and the method is more environment-friendly; the reaction is carried out at relatively low temperature and normal pressure, and the reaction conditions are mild; alkali is not needed in the reaction, so that generation of byproducts is avoided; and the conversion rate of the raw materials is high, and the yield of the obtained product is high. The method not only has academic research value, but also has a certain industrialization prospect.