Benzene, 1-(2-methyl-2-nitropropyl)-2-nitro-

Base Information

• Chemical Name: Benzene, 1-(2-methyl-2-nitropropyl)-2-nitro-
• CAS No.: 65398-89-2
• Molecular Formula: C10H12N2O4
• Molecular Weight: 224.216
• DSSTox Substance ID: DTXSID10462670
• Wikidata: Q82287236
• Mol file: 65398-89-2.mol

Synonyms:65398-89-2;Benzene, 1-(2-methyl-2-nitropropyl)-2-nitro-;DTXSID10462670;1-nitro-2-(2-nitro-2-methylpropyl)-benzene

Chemical Property of Benzene, 1-(2-methyl-2-nitropropyl)-2-nitro-

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.07970687
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC1=CC=CC=C1[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Benzene, 1-(2-methyl-2-nitropropyl)-2-nitro-

There total 5 articles about Benzene, 1-(2-methyl-2-nitropropyl)-2-nitro- 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:

2-nitrobenzyl chloride (612-23-7) → 1-nitro-2-(2-nitro-2-methylpropyl)benzene (65398-89-2) + 2-nitro-benzaldehyde (552-89-6)

Guidance literature:

With 2-nitropropane; sodium ethanolate; at 25 ℃;

DOI:10.1021/ja01178a066

Reference yield:

2-nitropropane (79-46-9) + 2-nitrobenzyl chloride (612-23-7) → 1-nitro-2-(2-nitro-2-methylpropyl)benzene (65398-89-2) + 2-nitro-benzaldehyde (552-89-6)

Guidance literature:

With sodium ethanolate;

DOI:10.1021/ja01178a066

Reference yield:

2-nitropropane (79-46-9) + sodium ethanolate (141-52-6) + 2-nitrobenzyl chloride (612-23-7) → 1-nitro-2-(2-nitro-2-methylpropyl)benzene (65398-89-2) + 2-nitro-benzaldehyde (552-89-6)

Guidance literature:

DOI:10.1021/ja01178a066

upstream raw materials:

2-nitropropane

sodium ethanolate

2-nitrobenzyl chloride

Downstream raw materials:

Phentermin

N-(1,1-dimethyl-2-phenyl-ethyl)-benzamide

1-amino-2-(2-amino-2-methylpropyl)benzene

3,3-dimethyl-3,4-dihydrocinnoline

Refernces

Selective Reduction of an Aromatic Nitro Group to an Azoxy Unit in the Presence of an Aliphatic Nitro Group

10.1007/s00706-002-0549-9

The study focuses on the selective reduction of an aromatic nitro group to an azoxy unit in the presence of an aliphatic nitro group, which is significant for the synthesis of aromatic azoxy compounds due to their physiological activities and applications in liquid crystal systems. The researchers used sodium borohydride in methanol with substoichiometric amounts of bismuth as the reducing agents to achieve chemoselective reduction of 1-nitro-2-(2-nitro-2-methylpropyl)-benzene to 2,20-di-(2-nitro-2-methylpropyl)-azoxybenzene. This method was compared to the reduction with zinc in hydrochloric acid, which resulted in a mixture of products and poor reproducibility. The purpose of the chemicals used was to selectively reduce the aromatic nitro group without affecting the aliphatic nitro group, and the study successfully demonstrated the first example of such a transformation.