4160-54-7

Basic information

• Product Name: 2,4-dinitro-1-tert-butyl-benzene
• Synonyms: 2,4-dinitro-1-tert-butyl-benzene;1-tert-butyl-2,4-dinitrobenzene;2,4-dinitro-t-butylbenzene
• CAS NO: 4160-54-7
• Molecular Formula: C₁₀H₁₂N₂O₄
• Molecular Weight: 224.2133
• Mol File: 4160-54-7.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 326.4 °C at 760 mmHg
• Flash Point: 146.4 °C
• Appearance: /
• Density: 1.246 g/cm³
• Vapor Pressure: 0.000411mmHg at 25°C
• Refractive Index: 1.555
• CAS DataBase Reference: 2,4-dinitro-1-tert-butyl-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-dinitro-1-tert-butyl-benzene(4160-54-7)
• EPA Substance Registry System: 2,4-dinitro-1-tert-butyl-benzene(4160-54-7)

Safety Data

• Hazardous Substances Data: 4160-54-7(Hazardous Substances Data)

Usage

General Description

2,4-Dinitro-1-tert-butyl-benzene is a chemical compound with the molecular formula C10H12N2O4. It is a derivative of benzene and is characterized by the presence of two nitro groups and a tert-butyl group attached to the benzene ring. 2,4-Dinitro-1-tert-butyl-benzene is a yellow crystalline solid that is often used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It is considered to be a hazardous chemical, as it is toxic and can cause skin and eye irritation. Additionally, it has the potential to be harmful to the environment if not properly handled and disposed of.

InChI:InChI=1/C10H12N2O4/c1-10(2,3)8-5-4-7(11(13)14)6-9(8)12(15)16/h4-6H,1-3H3

Upstream product

• 3282-56-2 4-tert-butylnitrobenzene 
• 253185-03-4 tert-butylbenzene 
• 59719-78-7 4-tert-butyl-3-nitrobenzoic acid 
• 1012-72-2 1,4-di-tert-butylbenzene 

Downstream Products

• 36919-89-8 di(tert-butyl)-biphenyl 
• 873050-31-8 [5-[(4-oxo-1H-quinolin-3-yl)carbonylamino]-2-tert-butyl-phenyl]aminoformic acid methyl ester 
• 56140-47-7 2,4,6-trinitro-tert-butylbenzene 
• 6310-21-0 2-(1,1-dimethylethyl)-benzenamine 
• 1886-57-3 1-tert-butyl-2-nitrobenzene 
• 62171-59-9 1-(tert-butyl)-2-iodobenzene 
• 2025-23-2 2,3-dinitro-4-t-butylaniline 
• 31951-11-8 4-acetamido-2-nitro-t-butylbenzene 
• 166263-22-5 N-cyano-N'-<5-cyano-2-(1,1-dimethylethyl)phenyl>carbamimidic acid phenyl ester 
• 166263-23-6 N'-<5-cyano-2-(1,1-dimethylethyl)phenyl>carbamic acid phenyl ester 
• 166263-20-3 3-amino-4-(1,1-dimethylethyl)benzonitrile 

Relevant articles and documents

Preparation method of M-tert-butylphenol

The invention discloses a preparation method of m-tert-butylphenol. The preparation method comprises the following steps: with tert-butylbenzene as a raw material, nitrifying tert-butylbenzene to obtain 2,4-dinitro-tert-butylbenzene, then conducting reduction and Baberger rearrangement to obtain 2,4-diamino-3-hydroxy tert-butylbenzene, and finally, performing diazotizing and reducing to remove amino groups so as to obtain m-tert-butylphenol. According to a process route in the invention, para-isomer generation is effectively avoided, and m-tert-butylphenol with a purity of 99% or above can beobtained through simple distillation; and the method has the advantages that raw materials are cheap and easy to obtain, the process is simple and has few side reactions, and the method is suitable for industrial production.

Formation constants in C-H hydrogen bonding. 4. Effects of cyano, nitro, and trifluoromethyl substituents in aromatic compounds

Formation constants ( Keq) have been measured using 1H NMR for H-bond complexes with HMPA in CCl 4of 35 aromatic compounds variously substituted with cyano, nitro, and trifluoromethyl groups; several compounds contained F and Cl. The three strongly polar groups enhance H-bonding significantly, usually in the order NO2 > CN > CF3; all are superior to Cl and F. 1,3,5-Trinitrobenzene fails to H-bond at all; however, TNT, its tert-butyl analog, and trinitro-m-xylene show significant Keq values. Coplanarity of nitro groups with the ring blocks approach of HMPA, probably via intramolecular H-bonds. The buttressing effect is evident in some crowded compounds.

C-C bond formation via C-H bond activation: Synthesis of the core of teleocidin B4

The core of teleocidin B4, a complex fragment of a natural product containing two quaternary stereocenters and a penta-substituted benzene ring, was synthesized in four C-C bond-forming steps starting from tert-butyl derivative 1. The first step involved