1-(2-Chloroethoxy)-3-nitrobenzene

Base Information

• Chemical Name: 1-(2-Chloroethoxy)-3-nitrobenzene
• CAS No.: 87291-34-7
• Molecular Formula: C8H8ClNO3
• Molecular Weight: 201.609
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID90401749
• Wikidata: Q82204979
• Mol file: 87291-34-7.mol

Synonyms:1-(2-chloroethoxy)-3-nitrobenzene;87291-34-7;SCHEMBL3442965;3-(2-Chloroethoxy)nitrobenzene;DTXSID90401749;HZNHTVVNRCRLQA-UHFFFAOYSA-N;2-Chloroethyl 3-nitrophenyl ether;AMY27346;MFCD02666030;1-(2-chloro-ethoxy)-3-nitrobenzene;AKOS009293766;MS-2653;FT-0713372;SR-01000308627;SR-01000308627-1

Chemical Property of 1-(2-Chloroethoxy)-3-nitrobenzene

Chemical Property:

• PSA: 55.05000
• LogP: 2.73560
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.0192708
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-CHLOROETHOXY)-3-NITROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Chloroethoxy)-3-nitrobenzene

There total 4 articles about 1-(2-Chloroethoxy)-3-nitrobenzene 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: 93.0%

meta-nitrophenol (554-84-7) + 2-chloro-ethanol (107-07-3) → 1-(2-chloroethoxy)-3-nitrobenzene (87291-34-7)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.bmc.2014.12.003

Reference yield: 80.0%

meta-nitrophenol (554-84-7) + 1-Bromo-2-chloroethane (107-04-0) → 1-(2-chloroethoxy)-3-nitrobenzene (87291-34-7)

Guidance literature:

With potassium carbonate; In butanone;

DOI:10.1016/S0960-894X(98)00014-6

Reference yield: 59.0%

meta-nitrophenol (554-84-7) → 1-(2-chloroethoxy)-3-nitrobenzene (87291-34-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.2147/DDDT.S209481

upstream raw materials:

meta-nitrophenol

1-Bromo-2-chloroethane

butanone

2-chloro-ethanol

Downstream raw materials:

1-[2-(3-nitro-phenoxy)-ethyl]-4-phenyl-piperidine-4-carboxylic acid ethyl ester

1-<2-(3-nitrophenoxy)ethyl>-1H-imidazole

2-(3-nitrophenoxy)ethanamine

3-(2-chloroethoxy)aniline