10340-91-7 | Benzyl isocyanide

Packsize	Purity	Availability	Price	Discounted Price
250mg	96%	in stock	$28.00	$20.00
1g	96%	in stock	$79.00	$56.00
5g	96%	in stock	$162.00	$113.00

Description

• Catalog Number: AB71024
• Chemical Name: Benzyl isocyanide
• CAS Number: 10340-91-7
• Molecular Formula: C8H7N
• Molecular Weight: 117.1479
• MDL Number: MFCD26620325
• SMILES: [C-]#[N+]Cc1ccccc1

Computed Properties

• Complexity: 114
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.6

Upstream Synthesis Route

Benzyl isocyanide is a versatile compound commonly used in chemical synthesis for various applications. Its unique structure and reactivity make it a valuable building block in the preparation of pharmaceuticals, agrochemicals, and materials science. In organic synthesis, benzyl isocyanide serves as a key intermediate in the preparation of diverse compounds through a variety of reactions, such as the Ugi reaction, Passerini reaction, and the use of transition metal catalysts. Its ability to undergo reactions with nucleophiles and electrophiles allows for the efficient construction of complex molecular structures. Furthermore, benzyl isocyanide can participate in multicomponent reactions, enabling the rapid assembly of diverse chemical libraries for drug discovery and material design. Its versatility and utility make benzyl isocyanide a valuable tool for synthetic chemists in the pursuit of novel compounds with potential applications in various fields.

Literature

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  Acta crystallographica. Section E, Structure reports online 20111201

• N,N'-Bis(5-bromo-pyridin-2-yl)methane-diamine.

  Acta crystallographica. Section E, Structure reports online 20110401

• N-Benzyl-2-(2-bromo-phen-yl)-2-(2-nitro-phen-oxy)acetamide.

  Acta crystallographica. Section E, Structure reports online 20100601

• Isocyanides inhibit human heme oxygenases at the verdoheme stage.

  Biochemistry 20090922

• Insertion of benzyl isocyanide into a Zr-P bond and rearrangement. Atom-economical synthesis of a phosphaalkene.

  Chemical communications (Cambridge, England) 20071028

• Synthesis of 3-hydroxy-6-oxo[1,2,4]triazin-1-yl alaninamides, a new class of cyclic dipeptidyl ureas.

  The Journal of organic chemistry 20060609

• Strong interfullerene electronic communication in a bisfullerene-hexarhodium sandwich complex.

  Journal of the American Chemical Society 20040811

• A new [2 + 1] mixed ligand concept based on [99(m)Tc(OH2)3(CO)3]+: a basic study.

  Dalton transactions (Cambridge, England : 2003) 20040507

• Binding of aromatic isocyanides on gold nanoparticle surfaces investigated by surface-enhanced Raman scattering.

  Applied spectroscopy 20040201