Benzene, [(1S)-1-isocyanoethyl]-


Chemical Name: Benzene, [(1S)-1-isocyanoethyl]-
CAS Number: 21872-32-2
Product Number: AG003CFC(AGN-PC-0O7WRZ)
Synonyms:
MDL No:
Molecular Formula: C9H9N
Molecular Weight: 131.17446

Identification/Properties


Computed Properties
Molecular Weight:
131.178g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
131.073g/mol
Monoisotopic Mass:
131.073g/mol
Topological Polar Surface Area:
4.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
136
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



(S)-()-α-Methylbenzyl isocyanide, also known as α-methylbenzyl isocyanide or AMBI, is a versatile building block in organic synthesis. This compound plays a crucial role in the development of novel chemical substances and can be employed in a wide range of applications.In chemical synthesis, (S)-()-α-Methylbenzyl isocyanide acts as a valuable reagent for the construction of various heterocyclic compounds. Its unique structure and reactivity make it particularly useful in the preparation of pharmaceutical intermediates, agrochemicals, and functional materials. The presence of the isocyanide functional group enables diverse transformations, including cycloaddition reactions, metal-catalyzed coupling reactions, and multicomponent reactions.Furthermore, (S)-()-α-Methylbenzyl isocyanide serves as a chiral auxiliary in asymmetric synthesis, allowing for the enantioselective construction of complex molecules. By utilizing this compound in asymmetric transformations, chemists can access enantiomerically pure products with high stereochemical control.Overall, the application of (S)-()-α-Methylbenzyl isocyanide in chemical synthesis showcases its significance as a versatile building block with diverse reactivity and synthetic utility.