1-(3-Nitrophenyl)ethanol

Base Information

• Chemical Name: 1-(3-Nitrophenyl)ethanol
• CAS No.: 5400-78-2
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• Hs Code.: 2906299090
• NSC Number: 10385
• DSSTox Substance ID: DTXSID801304679
• Nikkaji Number: J1.536.167K
• Mol file: 5400-78-2.mol

Synonyms:1-(3-nitrophenyl)ethanol;5400-78-2;1-(3-nitrophenyl)ethan-1-ol;1-(3-NIitrophenyl)ethanol;MFCD00053608;METHYL M-NITROPHENYL CARBINOL;NSC10385;3-nitrophenylethanol;3-nitrophenyl ethanol;1-(m-nitrophenyl)ethanol;1-(3-nitrophenyl)-ethanol;1-(3-nitro-phenyl)-ethanol;SCHEMBL2545597;DTXSID801304679;alpha-Methyl-3-nitrobenzenemethanol;NSC-10385;AKOS000124810;AKOS017258682;AS-18009;SY005045;CS-0097863;FT-0654240;EN300-36846;A829902

Chemical Property of 1-(3-Nitrophenyl)ethanol

Chemical Property:

• Melting Point: 62.5 °C
• Boiling Point: 281.3 °C at 760 mmHg
• PKA: 13.89±0.20(Predicted)
• Flash Point: 124.2 °C
• PSA: 66.05000
• Density: 1.263 g/cm³
• LogP: 2.17130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC=C1)[N+](=O)[O-])O

Technology Process of 1-(3-Nitrophenyl)ethanol

There total 16 articles about 1-(3-Nitrophenyl)ethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

3-Nitroacetophenone (121-89-1) → 1-(3-nitrophenyl)ethanol (5400-78-2)

Guidance literature:

With formic acid; C₁₈H₂₄ClIrN₃; In water; at 80 ℃; for 12h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1039/c8gc00348c

Reference yield: 84.0%

1-nitro-3-vinyl-benzene (586-39-0,51209-60-0) → 1-(3-nitrophenyl)ethanol (5400-78-2) + 3-Nitroacetophenone (121-89-1)

Guidance literature:

With triethylsilane; (1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyaninato)iron(II); oxygen; In ethanol; at 20 ℃; for 43h; under 760.051 Torr; chemoselective reaction; Sealed tube; Green chemistry;

DOI:10.1002/anie.201710370

Reference yield: 79.0%

1-nitro-3-vinyl-benzene (586-39-0,51209-60-0) → 1-(3-nitrophenyl)ethanol (5400-78-2)

Guidance literature:

With oxygen; tetraethylammonium borohydride; 5,10,15,20-tetraphenyl-21H,23H-porphine cobalt(II); In 1,2-dimethoxyethane; isopropyl alcohol; for 72h; Ambient temperature;

DOI:10.1021/jo00183a020

upstream raw materials:

aluminum isopropoxide

3-Nitroacetophenone

1-nitro-3-vinyl-benzene

(S)-1-(3-nitrophenyl)ethyl tosylate

Downstream raw materials:

3-(3-nitrophenyl)butanoic acid

(RS)-1-(1-bromoethyl)-3-nitrobenzene

1-(3-nitrophenyl)ethyl hydrogen phthalate

α-methyl-3-nitrobenzyl chloride

Refernces

• 1、 Sch?fberger, Wolfgang,Timelthaler, Daniel,Topf, Christoph. "Selective and Additive-Free Hydrogenation of Nitroarenes Mediated by a DMSO-Tagged Molecular Cobalt Corrole Catalyst". supporting information. p. 2114 - 2120. Retrieved 2021/07/22.
• 2、 Badillo-Gómez,Sánchez-Rodríguez,Toscano,Gouygou,Ortega-Alfaro,López-Cortés. "Ruthenium complex based on [N,N,O] tridentate -2-ferrocenyl-2-thiazoline ligand for catalytic transfer hydrogenation". . . Retrieved 2020/12/14.