129316-09-2

Basic information

• Product Name: 1,3-DIBROMO-5-TERT-BUTYLBENZENE
• Synonyms: 1,3-DIBROMO-5-TERT-BUTYLBENZENE;5-(tert-Butyl)-1,3-dibromobenzene;1,3-DibroMo-5-t-butylbenzene;3,5-DibroMo tert-butylbenzene;1,3-dibromo-5-(1,1-dimethylethyl)-Benzene
• CAS NO: 129316-09-2
• Molecular Formula: C₁₀H₁₂Br₂
• Molecular Weight: 292.01
• Mol File: 129316-09-2.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 250°C at 760 mmHg
• Flash Point: 115.6°C
• Appearance: /
• Density: 1.549g/cm³
• Vapor Pressure: 0.0352mmHg at 25°C
• Refractive Index: 1.549
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 1,3-DIBROMO-5-TERT-BUTYLBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-DIBROMO-5-TERT-BUTYLBENZENE(129316-09-2)
• EPA Substance Registry System: 1,3-DIBROMO-5-TERT-BUTYLBENZENE(129316-09-2)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 129316-09-2(Hazardous Substances Data)

Usage

General Description

1,3-Dibromo-5-tert-butylbenzene is a chemical compound with the molecular formula C10H13Br2. It is a colorless to pale yellow solid with a slightly sweet odor. This chemical is primarily used as an intermediate in the production of pharmaceuticals, dyes, and other organic compounds. It is also a common reagent in organic synthesis and can be found in research laboratories for various chemical reactions. 1,3-Dibromo-5-tert-butylbenzene is considered hazardous, and exposure to it can cause irritation to the respiratory system, skin, and eyes. It is important to handle and store this chemical with proper safety measures in place to prevent any accidents or harm.

InChI:InChI=1/C10H12Br2/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3

Upstream product

• 769-92-6 4-tert-Butylaniline 
• 10546-67-5 2,6-dibromo-4-(tert-butyl)aniline 

Downstream Products

• 133817-82-0 N-(3-bromo-5-tert-butylphenyl)-N-tert-butylhydroxyamine 
• 618-58-6 3,5-dibromobenzoic acid 
• 144001-12-7 C₂₄H₂₇N₃ 
• 144001-11-6 C₂₇H₃₅N₃Si 
• 172368-03-5 C₃₉H₄₆BrN₃Si 
• 172368-04-6 C₄₇H₆₁N₃Si₂ 
• 1124138-68-6 1-(3-bromo-5-(tert-butyl)phenyl)ethanone 
• 186772-43-0 1-bromo-3-(tert-butyl)-5-iodobenzene 

Relevant articles and documents

How to Control the Rate of Heterogeneous Electron Transfer across the Rim of M6L12and M12L24Nanospheres

Catalysis in confined spaces, such as those provided by supramolecular cages, is quickly gaining momentum. It allows for second coordination sphere strategies to control the selectivity and activity of transition metal catalysts, beyond the classical methods like fine-tuning the steric and electronic properties of the coordinating ligands. Only a few electrocatalytic reactions within cages have been reported, and there is no information regarding the electron transfer kinetics and thermodynamics of redox-active species encapsulated into supramolecular assemblies. This contribution revolves around the preparation of M6L12 and larger M12L24 (M = Pd or Pt) nanospheres functionalized with different numbers of redox-active probes encapsulated within their cavity, either in a covalent fashion via different types of linkers (flexible, rigid and conjugated or rigid and nonconjugated) or by supramolecular hydrogen bonding interactions. The redox probes can be addressed by electrochemical electron transfer across the rim of nanospheres, and the thermodynamics and kinetics of this process are described. Our study identifies that the linker type and the number of redox probes within the cage are useful handles to fine-tune the electron transfer rates, paving the way for the encapsulation of electroactive catalysts and electrocatalytic applications of such supramolecular assemblies.

A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFRL858R/T790Mmutant with improved pharmacokinetic properties

Structural optimization of pyrido[2,3-d]pyrimidin-7-ones was conducted to yield a series of new selective EGFRT790Minhibitors with improved pharmacokinetic properties. One of the most promising compound 9s potently suppressed EGFRL858R/T790Mkinase and inhibited the proliferation of H1975?cells with IC50values of 2.0?nM and 40?nM, respectively. The compound dose-dependently induced reduction of the phosphorylation of EGFR and downstream activation of ERK in NCI[sbnd]H1975?cells. It also exhibited moderate plasma exposure after oral administration and an oral bioavailability value of 16%. Compound 9s may serve as a promising lead compound for further drug discovery overcoming the acquired resistance of non-small cell lung cancer (NSCLC) patients.

M-Terphenyl-3,3″-dioxo-derived oxacalixaromatics: Synthesis, structure, and solvent encapsulation in the solid state

The synthesis of oxacalix[2]terphenylene[2]aromatics with enlarged macrocyclic holes by cyclooligomerization reaction of 5′-tert-butyl-(1, 1′:3′,1″-terphenyl)-3,3″-diol 1 with electron-deficient dihalogenated benzene and azaheterocycles is described. The structures of the macrocycles were characterized by NMR, HRMS spectroscopic and X-ray diffraction techniques. Single crystal X-ray analysis revealed that the terphenyl-3, 3″-dioxo unit incorporated in the oxacalix[4]aromatics scaffold can adopt all three possible conformations (I, II, III). The cis-conformational terphenyl-3,3″-dioxo (I and II) derived oxacalix[4]aromatics were found to adopt both chair and boat conformations, resulted in creation of molecular cavities capable of hosting solvent molecules of chloroform. The trans-conformational terphenyl-3,3″-dioxo (III) derived oxacalix[4]aromatics, however, adopt a twisted chair conformation with a narrow void space incapable of hosting any guest molecules.