2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene

Base Information

• Chemical Name: 2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene
• CAS No.: 92878-95-0
• Molecular Formula: C10H12ClNO4
• Molecular Weight: 245.663
• European Community (EC) Number: 618-883-1
• UNII: JT24UKT3NF
• DSSTox Substance ID: DTXSID00535665
• Wikidata: Q72457981
• Mol file: 92878-95-0.mol

Synonyms:2-(3-CHLOROPROPOXY)-1-METHOXY-4-NITROBENZENE;92878-95-0;JT24UKT3NF;EC 618-883-1;SCHEMBL5099839;DTXSID00535665;JHFBALWBVABSLF-UHFFFAOYSA-N;BCP31074;EX-A4058;AKOS000136933;AC-23992;NS00001489;2(3-chloropropoxy)-1-methoxy-4-nitrobenzene;1-(2-Methoxy-5-nitrophenoxy)-3-chloropropane;Benzene, 2-(3-chloropropoxy)-1-methoxy-4-nitro-

Chemical Property of 2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene

Chemical Property:

• Boiling Point: 388.3 °C at 760 mmHg
• Flash Point: 188.6 °C
• PSA: 64.28000
• Density: 1.268 g/cm³
• LogP: 3.13430
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 245.0454856
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

99.9% ^*data from raw suppliers

2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])OCCCCl

Technology Process of 2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene

There total 2 articles about 2-(3-Chloropropoxy)-1-methoxy-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: 66.0%

5-nitroguaiacol (636-93-1) + 1.3-chlorobromopropane (109-70-6) → 1-(2-methoxy-5-nitrophenoxy)-3-chloropropane (92878-95-0)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; acetonitrile; at 60 ℃; for 3h;

DOI:10.1016/S0040-4020(01)91127-5

Reference yield: 54.0%

1-iodo-3-chloro-propane (6940-76-7) + 5-nitroguaiacol (636-93-1) → 1-(2-methoxy-5-nitrophenoxy)-3-chloropropane (92878-95-0)

Guidance literature:

With potassium carbonate; In acetonitrile; at 85 ℃; for 3h;

Reference yield: 83.0%

3,3-dimethylpyrrolidine hydrochloride + 1-(2-methoxy-5-nitrophenoxy)-3-chloropropane (92878-95-0) → 1-[3-(2-methoxy-5-nitrophenoxy)propyl]-3,3-dimethylpyrrolidine

Guidance literature:

With caesium carbonate; potassium iodide; In acetonitrile; at 80 ℃; for 16h;

upstream raw materials:

5-nitroguaiacol

1.3-chlorobromopropane

1-iodo-3-chloro-propane

Downstream raw materials:

1-[3-(2-methoxy-5-nitrophenoxy)propyl]-4-methylpiperazine

3-(3-chloropropoxy)-4-methoxyaniline

bosutinib

2-cyano-N-(2,4-dichloro-5-methoxyphenyl)-3-{4-methoxy-3-[3-(4-methylpiperazin-1-yl)-propoxy]-phenylamino}-acrylamide

Refernces

• 1、 Ge, Yang,Wang, Changyuan,Song, Shijie,Huang, Jiaxin,Liu, Zhihao,Li, Yongming,Meng, Qiang,Zhang, Jianbin,Yao, Jihong,Liu, Kexin,Ma, Xiaodong,Sun, Xiuli. "Identification of highly potent BTK and JAK3 dual inhibitors with improved activity for the treatment of B-cell lymphoma". . p. 1847 - 1857. Retrieved 2017/12/04.
• 2、 -. "PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS". Page/Page column 19. . Retrieved 2008/12/08.