1-(2-Chloroethoxy)-4-nitrobenzene

Base Information

• Chemical Name: 1-(2-Chloroethoxy)-4-nitrobenzene
• CAS No.: 3383-72-0
• Molecular Formula: C8H8ClNO3
• Molecular Weight: 201.609
• Hs Code.: 2909309090
• European Community (EC) Number: 425-790-8,620-984-0
• DSSTox Substance ID: DTXSID10377513
• Wikidata: Q72449900
• Mol file: 3383-72-0.mol

Synonyms:1-(2-Chloroethoxy)-4-nitrobenzene;3383-72-0;4-(2-Chloroethoxy)nitrobenzene;2-(4-Nitrophenoxy)ethyl chloride;4-Nitro-1-(2-chloroethoxy)benzene;Benzene, 1-(2-chloroethoxy)-4-nitro-;MFCD00674505;2-[4-nitrophenoxy]ethyl chloride;2-chloroethyl 4-nitrophenyl ether;4-nitro-(2-chloroethoxy)benzene;1-(2-chloro-ethoxy)-4-nitro-benzene;2-CHLOROETHYL-4-NITROPHENYL ETHER;beta-Chloro-4-nitrophenethole;SCHEMBL1735227;2-(4-Nitrophenoxy)ethylchlorid;DTXSID10377513;OBCFOPGCTNULTG-UHFFFAOYSA-N;1(2-chloroethoxy)-4-nitrobenzene;4-Nitrophenyl 2-chloroethyl ether;AKOS005073503;1-(2-chloroethyloxy)-4-nitro-benzene;AM83076;MS-5009;SY031416;C3523;CS-0035627;FT-0634813;A821955;J-502977

Chemical Property of 1-(2-Chloroethoxy)-4-nitrobenzene

Chemical Property:

• Appearance/Colour: needle-like crystal
• Vapor Pressure: 0.000288mmHg at 25°C
• Melting Point: 67-68 °C
• Refractive Index: 1.552
• Boiling Point: 332.1 °C at 760 mmHg
• Flash Point: 154.6 °C
• PSA: 55.05000
• Density: 1.316 g/cm³
• LogP: 2.73560
• Storage Temp.: Sealed in dry,Room Temperature
• 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: 163

Purity/Quality:

99.0%, High purity. ^*data from raw suppliers

1-(2-Chloroethoxy)-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-(2-Chloroethoxy)-4-nitrobenzene

There total 12 articles about 1-(2-Chloroethoxy)-4-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: 84.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-Bromo-2-chloroethane (107-04-0) → 1-(2-chloroethoxy)-4-nitrobenzene (3383-72-0)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃;

Reference yield: 80.0%

sodium tetrakis(2-chloroethoxy)borate + 4-chlorobenzonitrile (100-00-5) → 1-(2-chloroethoxy)-4-nitrobenzene (3383-72-0)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tert-butyl XPhos; In tert-Amyl alcohol; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c8ob01146j

Reference yield: 72.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 1-(2-chloroethoxy)-4-nitrobenzene (3383-72-0)

Guidance literature:

With potassium carbonate; In butanone; for 36h; Heating;

DOI:10.1016/j.ejmech.2004.10.006

upstream raw materials:

2-(4-nitrophenoxy)ethanol

1,2-dichloro-ethane

4-nitrophenol sodium salt

4-nitro-phenol

Downstream raw materials:

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

N-methyl-2-(p-nitrophenoxy)ethylamine

1-(2-Azidoethoxy)-4-nitrobenzene

4-[2-(4-nitrophenoxy)ethyl]morpholine

Refernces

• 1、 Zhu, Yanming,Zheng, Xu,Wang, Changyuan,Sun, Xiuli,Sun, Huijun,Ma, Tengyue,Li, Yanxia,Liu, Kexin,Chen, Lixue,Ma, Xiaodong. "Synthesis and biological activity of thieno[3,2-d]pyrimidines as potent JAK3 inhibitors for the treatment of idiopathic pulmonary fibrosis". . . Retrieved 2019/12/28.
• 2、 Zhai, Zheng,Li, Ridong,Bai, Xinyu,Ning, Xianling,Lin, Zhiqiang,Zhao, Xuyang,Jin, Yan,Yin, Yuxin. "Design, synthesis and biological evaluation of novel dithiocarbamate-substituted diphenylaminopyrimidine derivatives as BTK inhibitors". . p. 4124 - 4142. Retrieved 2019/08/07.