2-Isopropoxynitrobenzene

Base Information

• Chemical Name: 2-Isopropoxynitrobenzene
• CAS No.: 38753-50-3
• Molecular Formula: C9H11 N O3
• Molecular Weight: 181.191
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID20192032
• Nikkaji Number: J323.672B
• Wikidata: Q83064629
• Mol file: 38753-50-3.mol

Synonyms:2-isopropoxynitrobenzene;o-isopropoxynitrobenzene;ortho-isopropoxynitrobenzene

Chemical Property of 2-Isopropoxynitrobenzene

Chemical Property:

• Vapor Pressure: 0.00775mmHg at 25°C
• Refractive Index: 1.5525 (estimate)
• Boiling Point: 277.2°C at 760 mmHg
• Flash Point: 123.1°C
• PSA: 55.05000
• Density: 1.141g/cm³
• LogP: 2.90520
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

1-Isopropoxy-2-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=CC=C1[N+](=O)[O-]

Technology Process of 2-Isopropoxynitrobenzene

There total 12 articles about 2-Isopropoxynitrobenzene 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%

potassium isopropoxide (6831-82-9) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 1-isopropoxy-2-nitrobenzene (38753-50-3)

Guidance literature:

In isopropyl alcohol; at 75 ℃; Mechanism; Product distribution; Rate constant; also with the K⁺ complexing 18-crown-6 ether under aerobic and anaerobic conditions;

DOI:10.1021/jo00298a044

Reference yield: 94.0%

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) + isopropyl alcohol (67-63-0,8013-70-5) → 1-isopropoxy-2-nitrobenzene (38753-50-3)

Guidance literature:

With potassium hydroxide; for 24h; Inert atmosphere;

DOI:10.1021/ol201657p

Reference yield: 92.0%

→ 1-isopropoxy-2-nitrobenzene (38753-50-3)

Guidance literature:

upstream raw materials:

potassium isopropoxide

2-Chloronitrobenzene

isopropyl alcohol

ortho-nitrofluorobenzene

Downstream raw materials:

N-(2-isopropoxyphenyl)benzamide

2-[(2-hydroxy-ethyl)-(2-isopropoxy-phenyl)-amino]-ethanol

4-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-cyclohexylamine

2-((4-(2-(4-chlorophenoxy)ethanoyl)piperazin-1-yl)methyl)-3-(2-isopropoxyphenyl)quinazolin-4(3H)-one

Refernces

• 1、 Liu, Zhenwei,Luan, Nannan,Lu, Hongtao,Liang, Apeng,Li, Jingya,Zou, Dapeng,Wu, Yangjie,Wu, Yusheng. "Boron-Promoted Ether Interchange Reaction: Synthesis of Alkyl Nitroaromatic Ethers from Methoxynitroarenes". . p. 702 - 707. Retrieved 2020/02/11.
• 2、 -. "QUINAZOLINONE-BASED ONCOGENIC-RAS-SELECTIVE LETHAL COMPOUNDS AND THEIR USE". Paragraph 0157; 0160. . Retrieved 2014/02/15.