1-(1-Chloro-2,2-dimethylpropyl)-4-nitrobenzene

Base Information

• Chemical Name: 1-(1-Chloro-2,2-dimethylpropyl)-4-nitrobenzene
• CAS No.: 62558-02-5
• Molecular Formula: C11H14ClNO2
• Molecular Weight: 227.691
• DSSTox Substance ID: DTXSID70516022
• Nikkaji Number: J1.262.687H

Synonyms:1-(1-Chloro-2,2-dimethylpropyl)-4-nitrobenzene;62558-02-5;DTXSID70516022

Chemical Property of 1-(1-Chloro-2,2-dimethylpropyl)-4-nitrobenzene

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.0713064
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(1-Chloro-2,2-dimethylpropyl)-4-nitrobenzene

There total 1 articles about 1-(1-Chloro-2,2-dimethylpropyl)-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:

1-chloro-2,2-dimethyl-1-phenylpropane (1688-17-1) → 1-(1-chloro-2,2-dimethylpropyl)-4-nitrobenzene (62558-02-5)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield: 64.0%

1-(1-chloro-2,2-dimethylpropyl)-4-nitrobenzene (62558-02-5) + sodium 2,4,6-trimethylbenzenesulfinic acid (50827-54-8) → 2,2-dimethyl-1-(p-nitrophenyl)propyl mesityl sulfate (118450-86-5)

Guidance literature:

With 2-lithio-2-nitropropane; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 60 ℃; for 20h; Irradiation;

Reference yield: 57.0%

1-(1-chloro-2,2-dimethylpropyl)-4-nitrobenzene (62558-02-5) + sodium 2,4,6-triisopropylbenzenethiolate → 2,2-dimethyl-1-(4-nitrophenyl)propyl 2,4,6-triisopropylphenyl sulfide

Guidance literature:

In dimethyl sulfoxide; at 20 ℃; for 0.0666667h; Irradiation;

DOI:10.1071/CH99080

upstream raw materials:

1-chloro-2,2-dimethyl-1-phenylpropane

Downstream raw materials:

2,2-dimethyl-1-(4-nitrophenyl)propan-1-one

2-[2,2-Dimethyl-1-(4-nitro-phenyl)-propyl]-2-methyl-malononitrile

2-[2,2-Dimethyl-1-(4-nitro-phenyl)-propyl]-2-ethyl-malononitrile

1-(2,2-dimethylpropyl)-4-nitrobenzene

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