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1-Bromo-4-tert-butyl-2-nitrobenzene is a chemical compound characterized by the molecular formula C10H12BrNO2. It presents as a yellow crystalline solid, which is insoluble in water but readily soluble in organic solvents. 1-Bromo-4-tert-butyl-2-nitrobenzene is recognized for its role as an intermediate in the synthesis of a variety of organic compounds, including those used in pharmaceuticals, dyes, and specialty chemicals. Its applications extend to the production of agrochemicals and pesticides, and it has been a subject of interest in research for its potential biological and pharmacological properties, indicating a possible use in the development of new therapeutic agents.

70729-05-4

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70729-05-4 Usage

Uses

Used in Pharmaceutical Industry:
1-Bromo-4-tert-butyl-2-nitrobenzene is used as a synthetic intermediate for the production of various pharmaceuticals, contributing to the development of new drugs due to its unique chemical structure and reactivity.
Used in Dye Industry:
In the dye industry, 1-Bromo-4-tert-butyl-2-nitrobenzene is utilized as a building block in the synthesis of dyes, where its chemical properties allow for the creation of a range of colorants for different applications.
Used in Specialty Chemicals Production:
1-Bromo-4-tert-butyl-2-nitrobenzene is employed as a key intermediate in the synthesis of specialty chemicals, which are used in various industries for their unique properties and functions.
Used in Agrochemical and Pesticide Production:
1-Bromo-4-tert-butyl-2-nitrobenzene is used as a component in the manufacturing process of agrochemicals and pesticides, where its chemical structure plays a crucial role in the effectiveness of these products.
Used in Research and Development:
1-Bromo-4-tert-butyl-2-nitrobenzene is used in research settings for exploring its potential biological and pharmacological properties, with the aim of discovering new therapeutic agents and applications in medicine.

Check Digit Verification of cas no

The CAS Registry Mumber 70729-05-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,0,7,2 and 9 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 70729-05:
(7*7)+(6*0)+(5*7)+(4*2)+(3*9)+(2*0)+(1*5)=124
124 % 10 = 4
So 70729-05-4 is a valid CAS Registry Number.

70729-05-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Bromo-4-tert-butyl-2-nitrobenzene

1.2 Other means of identification

Product number -
Other names 4-Bromo-3-nitro-tert-butylbenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:70729-05-4 SDS

70729-05-4Relevant academic research and scientific papers

NOVEL INDAZOLE COMPOUND OR SALT THEREOF

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Paragraph 0244, (2021/09/02)

An indazole compound represented by the following Formula (I) or a salt thereof: wherein X, R1, R2, ring A, L1, L2, L3, and R5 are as defined in this specification.

ANTICANCER COMBINATION THERAPY WITH N-(1-ACRYLOYL-AZETIDIN-3-YL)-2-((1H-INDAZOL-3-YL)AMINO)METHYL)-1H-IMIDAZOLE-5-CARBOXAMIDE INHIBITOR OF KRAS-G12C

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Page/Page column 00299, (2021/10/30)

A method of treating cancer comprises administering: (a) a therapeutically effective amount of a compound of Formula (I) or a pharmaceutically acceptable salt thereof; and (b) a therapeutically effective amount of an additional anti-cancer agent, to a subject in need of such treatment, the compound of Formula (I) being: where X, R1, R2, ring A, L1, L2, L3, and R5 are as defined in this disclosure.

KRAS G12D PROTEIN INHIBITORS

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Paragraph 00113, (2021/10/30)

Compounds and pharmaceutically acceptable salts thereof inhibit the G12D mutant of KRAS protein and are expected to have utility as therapeutic agents, for example, for the treatment of cancer.

Synthesis, Characterization, and Properties of Diazapyrenes via Bischler-Napieralski Reaction

Han, Yi,Hu, Zhenzhu,Liu, Meifang,Li, Mengwei,Wang, Tingting,Chen, Yulan

, p. 3953 - 3959 (2019/04/10)

Via Bischler-Napieralski cyclization of amide precursors as the key step, a series of diazapyrene derivatives were designed and successfully synthesized. Their crystal structures, optoelectronic properties, and acid-responsive feature were investigated, which demonstrated that the doping of nitrogen atoms to the pyrene framework remarkably modulates their physical and chemical properties.

Chiral Bis(oxazoline) Ligands as C2-Symmetric Chiral Auxiliaries for the Synthesis of Enantiomerically Pure Bis-Cyclometalated Rhodium(III) Complexes

Grell, Yvonne,Demirel, Nemrud,Harms, Klaus,Meggers, Eric

supporting information, p. 3852 - 3859 (2019/11/13)

The synthesis of enantiomerically pure bis-cyclometalated rhodium(III) complexes using chiral bis(oxazoline) ligands as C2-symmetric chiral auxiliaries is described. Bis(oxazolines) are versatile chiral ligands for asymmetric catalysis but have

MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS

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Paragraph 00882, (2018/09/12)

Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of bacterial type 1 signal peptidase (SpsB), an essential protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

Synthesis of ladder-type graphene ribbon oligomers from pyrene units

Liu, Feng,Shen, Xiaoxiao,Wu, Yonggang,Bai, Libin,Zhao, Hongchi,Ba, Xinwu

supporting information, p. 4157 - 4161 (2016/08/24)

A series of ladder-type graphene ribbon oligomers have been synthesized through DDQ/acid-mediated oxidative cyclization. The oligomers present a bright blue light emission, and the new oligomers were clearly characterized by NMR and MALDI-TOF.

Octahedral Chiral-at-Metal Iridium Catalysts: Versatile Chiral Lewis Acids for Asymmetric Conjugate Additions

Shen, Xiaodong,Huo, Haohua,Wang, Chuanyong,Zhang, Bo,Harms, Klaus,Meggers, Eric

supporting information, p. 9720 - 9726 (2015/06/30)

Octahedral iridium(III) complexes containing two bidentate cyclometalating 5-tert-butyl-2-phenylbenzoxazole (IrO) or 5-tert-butyl-2-phenylbenzothiazole (IrS) ligands in addition to two labile acetonitrile ligands are demonstrated to constitute a highly versatile class of asymmetric Lewis acid catalysts. These complexes feature the metal center as the exclusive source of chirality and serve as effective asymmetric catalysts (0.5-5.0 mol % catalyst loading) for a variety of reactions with α,β-unsaturated carbonyl compounds, namely Friedel-Crafts alkylations (94-99 % ee), Michael additions with CH-acidic compounds (81-97 % ee), and a variety of cycloadditions (92-99 % ee with high d.r.). Mechanistic investigations and crystal structures of an iridium-coordinated substrates and iridium-coordinated products are consistent with a mechanistic picture in which the α,β-unsaturated carbonyl compounds are activated by two-point binding (bidentate coordination) to the chiral Lewis acid.

Expanding the palette of phenanthridinium cations

Cairns, Andrew G.,Senn, Hans Martin,Murphy, Michael P.,Hartley, Richard C.

supporting information, p. 3742 - 3751 (2014/04/03)

5,6-Disubstituted phenanthridinium cations have a range of redox, fluorescence and biological properties. Some properties rely on phenanthridiniums intercalating into DNA, but the use of these cations as exomarkers for the reactive oxygen species (ROS), superoxide, and as inhibitors of acetylcholine esterase (AChE) do not require intercalation. A versatile modular synthesis of 5,6-disubstituted phenanthridiniums that introduces diversity by Suzuki-Miyaura coupling, imine formation and microwave-assisted cyclisation is presented. Computational modelling at the density functional theory (DFT) level reveals that the novel displacement of the aryl halide by an acyclic N-alkylimine proceeds by an SNAr mechanism rather than electrocyclisation. It is found that the displacement of halide is concerted and there is no stable Meisenheimer intermediate, provided the calculations consistently use a polarisable solvent model and a diffuse basis set.

Highly efficient dye-sensitized solar cells based on panchromatic ruthenium sensitizers with quinolinylbipyridine anchors

Chou, Chun-Cheng,Hu, Fa-Chun,Yeh, Hsiu-Hsuan,Wu, Hsin-Pei,Chi, Yun,Clifford, John N.,Palomares, Emilio,Liu, Shih-Hung,Chou, Pi-Tai,Lee, Gene-Hsiang

supporting information, p. 178 - 183 (2014/01/17)

Panchromatic RuII sensitizers TF-30-TF-33 bearing a new class of 6-quinolin-8-yl-2,2′-bipyridine anchor were synthesized and tested under AM1.5 G simulated solar irradiation. Their increased π conjugation relative to that of the traditional 2,2

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