1114830-16-8

Basic information

• Product Name: tert-Butyl 2-(5-broMopyriMidin-2-yl)acetate
• Synonyms: tert-Butyl 2-(5-broMopyriMidin-2-yl)acetate
• CAS NO: 1114830-16-8
• Molecular Formula: C₁₀H₁₃BrN₂O₂
• Molecular Weight: 273.12642
• Mol File: 1114830-16-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 313.4±22.0 °C(Predicted)
• Appearance: /
• Density: 1.404±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -0.52±0.22(Predicted)
• CAS DataBase Reference: tert-Butyl 2-(5-broMopyriMidin-2-yl)acetate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-Butyl 2-(5-broMopyriMidin-2-yl)acetate(1114830-16-8)
• EPA Substance Registry System: tert-Butyl 2-(5-broMopyriMidin-2-yl)acetate(1114830-16-8)

Safety Data

• Hazardous Substances Data: 1114830-16-8(Hazardous Substances Data)

Usage

General Description

Tert-Butyl 2-(5-bromopyrimidin-2-yl)acetate is a chemical compound with the molecular formula C11H15BrN2O2. It is a white to off-white solid with a molecular weight of 281.15 g/mol. tert-Butyl 2-(5-broMopyriMidin-2-yl)acetate is commonly used in organic synthesis and pharmaceutical research as an intermediate for the synthesis of various drugs and bioactive compounds. It is also used as a building block in the preparation of pharmaceuticals and agrochemicals. Tert-Butyl 2-(5-bromopyrimidin-2-yl)acetate is known for its high purity and effectiveness, making it a valuable chemical in the field of medicinal and pharmaceutical chemistry.

Upstream product

• 32864-38-3 tert-Butyl ethyl malonate 
• 948594-79-4 1-tert-butyl 3-methyl 2-(5-bromopyrimidin-2-yl)malonate 

Relevant articles and documents

Synthesis and RNA-Binding Properties of Extended Nucleobases for Triplex-Forming Peptide Nucleic Acids

Triple-helix formation, using Hoogsteen hydrogen bonding of triplex-forming oligonucleotides, represents an attractive method for sequence-specific recognition of double-stranded nucleic acids. However, practical applications using triple-helix-forming oligonucleotides and their analogues are limited to long homopurine sequences. The key problem for recognition of pyrimidines is that they present only one hydrogen-bond acceptor or donor group in the major groove. Herein, we report our first attempt to overcome this problem by using peptide nucleic acids (PNAs) modified with extended nucleobases that form three hydrogen bonds along the entire Hoogsteen edge of the Watson-Crick base pair. New nucleobase triples (five) were designed, and their hydrogen bonding feasibility was confirmed by ab initio calculations. PNA monomers carrying the modified nucleobases were synthesized and incorporated in short model PNA sequences. Isothermal titration calorimetry showed that these nucleobases had a modest binding affinity for their double-stranded RNA (dsRNA) targets. Finally, molecular modeling of the modified triples in PNA-dsRNA helix suggested that the modest binding affinity was caused by subtle structural deviations from ideal hydrogen-bonding arrangements or disrupted π-stacking of the extended nucleobase scaffolds.