2-(2-Chloro-6-nitrophenyl)ethanol

Base Information

• Chemical Name: 2-(2-Chloro-6-nitrophenyl)ethanol
• CAS No.: 102493-68-5
• Molecular Formula: C8H8 Cl N O3
• Molecular Weight: 201.609
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID40351462
• Nikkaji Number: J1.389.495G
• Wikidata: Q82127896
• Mol file: 102493-68-5.mol

Synonyms:2-(2-Chloro-6-nitrophenyl)ethanol;102493-68-5;2-(2-chloro-6-nitrophenyl)ethan-1-ol;3-Chloro-2-(2-hydroxyethyl)nitrobenzene;1-chloro-2-(2-hydroxyethyl)-3-nitrobenzene;EC-000.1715;Oprea1_156050;SCHEMBL4309273;2-Chloro-6-nitro-benzeneethanol;DTXSID40351462;FLKQZNFLWOPRFX-UHFFFAOYSA-N;MFCD00239018;STK664073;2-(2-chloro-6-nitrophenyl) ethanol;AKOS015998326;2-(2-Chloro-6-nitro-phenyl)-ethanol;LS-08283;CS-0268962;2-(2-CHLORO-6-NITROPHENYL)-1-ETHANOL;EN300-1985877

Chemical Property of 2-(2-Chloro-6-nitrophenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.000242mmHg at 25°C
• Refractive Index: 1.595
• Boiling Point: 311.4°Cat760mmHg
• Flash Point: 142.1°C
• PSA: 66.05000
• Density: 1.404g/cm³
• LogP: 2.30620
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.0192708
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

98.5% ^*data from raw suppliers

2-(2-Chloro-6-nitrophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)CCO)[N+](=O)[O-]
• Uses: 2-(2-Chloro-6-nitrophenyl)ethanol is a useful research chemical compound.

Technology Process of 2-(2-Chloro-6-nitrophenyl)ethanol

There total 3 articles about 2-(2-Chloro-6-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: 92.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 6-chloro-2-nitrotoluene (83-42-1) → 2-(2-chloro-6-nitrophenyl)-ethanol (102493-68-5)

Guidance literature:

With N-benzyl-trimethylammonium hydroxide; In methanol; dimethyl sulfoxide; at 90 ℃; for 2h;

DOI:10.1021/jo00289a036

Reference yield: 86.0%

(2-chloro-6-nitro-phenyl)-acetic acid (31912-08-0) → 2-(2-chloro-6-nitrophenyl)-ethanol (102493-68-5)

Guidance literature:

With sodium bicarbonate; sodium borohydrid; In tetrahydrofuran; hexane; dichloromethane; water;

Reference yield: 66.0%

6-chloro-2-nitrotoluene (83-42-1) + N-benzyl-trimethylammonium hydroxide (100-85-6) → 2-(2-chloro-6-nitrophenyl)-ethanol (102493-68-5)

Guidance literature:

With paraformaldehyde; In methanol; dimethyl sulfoxide;

upstream raw materials:

formaldehyd

6-chloro-2-nitrotoluene

(2-chloro-6-nitro-phenyl)-acetic acid

N-benzyl-trimethylammonium hydroxide

Downstream raw materials:

2-(2-amino-6-chlorophenyl)ethyl alcohol

2-(2-chloro-6-nitrophenyl)ethoxycarbonyl chloride

2-(2-chloro-6-nitrophenyl)ethyl chloride

4-chloro-1-tosyl-1H-indole

Refernces

• 1、 Ramos, Josierika A. Ferreira,Araújo, Carolina S.,Nagem, Tanus J.,Taylor, Jason G.. "Synthesis of indolines via a SmI2 promoted domino nitro reduction-intramolecular aza-Michael reaction". . p. 54 - 58. Retrieved 2015/01/30.
• 2、 Terada, Yukiyoshi,Arisawa, Mitsuhiro,Nishida, Atsushi. "Cycloisomerization promoted by the combination of a ruthenium-carbene catalyst and trimethylsilyl vinyl ether, and its application in the synthesis of heterocyclic compounds: 3-Methylene-2,3-dihydroindoles and 3-methylene-2,3- dihydrobenzofurans". . p. 4063 - 4067. Retrieved 2007/10/03.