145143-26-6

Basic information

• Product Name: [1,1-Bibicyclo[1.1.1]pentane]-3-carbonylchloride(9CI)
• Synonyms: [1,1-Bibicyclo[1.1.1]pentane]-3-carbonylchloride(9CI)
• CAS NO: 145143-26-6
• Molecular Formula: C11H13ClO
• Molecular Weight: 196.67
• Product Categories: ACIDHALIDE
• Mol File: 145143-26-6.mol

Chemical Properties

• Boiling Point: 235.0±9.0 °C(Predicted)
• Appearance: /
• Density: 1.592±0.06 g/cm3(Predicted)
• CAS DataBase Reference: [1,1-Bibicyclo[1.1.1]pentane]-3-carbonylchloride(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: [1,1-Bibicyclo[1.1.1]pentane]-3-carbonylchloride(9CI)(145143-26-6)
• EPA Substance Registry System: [1,1-Bibicyclo[1.1.1]pentane]-3-carbonylchloride(9CI)(145143-26-6)

Safety Data

• Hazardous Substances Data: 145143-26-6(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
[1,1-Bibicyclo[1.1.1]pentane]-3-carbonylchloride(9CI) is used as a building block in the field of organic synthesis for the creation of various organic compounds. Its reactivity with different nucleophiles makes it a valuable component in the synthesis of complex molecules and pharmaceuticals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, [1,1-Bibicyclo[1.1.1]pentane]-3-carbonylchloride(9CI) is used as a key intermediate in the synthesis of certain drugs. Its ability to react with various nucleophiles allows for the development of novel drug candidates with potential therapeutic applications.
Used in Chemical Research:
[1,1-Bibicyclo[1.1.1]pentane]-3-carbonylchloride(9CI) is also utilized in chemical research as a model compound to study the reactivity and properties of carbonyl chloride derivatives. This helps researchers gain a deeper understanding of the underlying chemical mechanisms and potentially discover new applications for this class of compounds.

Upstream product

• 137335-08-1 <2>staffane-3-carboxylic acid 

Relevant articles and documents

Long-range spin density propagation in saturated hydrocarbons: 3-[n]Staffyl radicals

The bridgehead radicals derived from the first three [n]staffanes (n = 1-3), oligomers of [1.1.1]propellane, have been generated from the corresponding bromides, and their solution EPR spectra have been recorded. Remarkably long-range hyperfine coupling has been found to ε, ζ, and even ι hydrogens, in qualitative agreement with ab initio UHF calculations. The coupling to the bridgehead hydrogen is attenuated by a factor of about 25 per added bicyclo[1.1.1]pentane cage. The long-range propagation of spin density can be attributed to strong interaction between the Orbitals used to make the exocyclic bonds in the 1 and 3 positions of each bicyclo[1.1.1]pentane cage. The situation can be understood simply in terms of a linear σ-hyperconjugated chain of Orbitals interacting through resonance integrals whose effective magnitude alternates in an about 1:5 ratio. A more detailed analysis is provided by considering the effect on the spin density of the various types of off-diagonal elements in the UHF Hartree-Fock matrix expressed in terms of maximally spin-paired natural bond Orbitals (MSP-NBO). This permits a clean separation of through-space and through-bond interactions as well as further separation of each of these into contributions due to bond delocalization and those due to bond spin polarization.

STAFFANES WITH TERMINAL NITRILE AND ISONITRILE FUNCTIONALITIES AND THEIR METAL COMPLEXES

The synthesis of several bridgehead nitrile and isonitrile derivatives of the first two staffanes, n = 1 and 2, is reported.Both isonitriles were converted into pentacarbonylmolybdenum complexes. Staffane-3-carbonitrile was converted to a complex with rhodium(II) acetate, which was characterized by a single crystal X-ray analysis.