3-Aminophenylacetylene - Materials / Alfa Chemistry

NAVIGATION

3-Aminophenylacetylene

PRICE INQUIRY

Catalog Number

ACMA00017291

Product Name

3-Aminophenylacetylene

Category

Polymers

IUPAC Name

3-ethynylaniline

Molecular Weight

117.15g/mol

Molecular Formula

C8H7N

Canonical SMILES

C#CC1=CC(=CC=C1)N

InChI

InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2

InChI Key

NNKQLUVBPJEUOR-UHFFFAOYSA-N

Application

3-Aminophenylacetylene, a clear yellowish to brown liquid, serves as a valuable pharmaceutical intermediate, primarily utilized in click chemistry reactions. Its versatility is demonstrated through its role in synthesizing various benzoxazine monomers, such as bis{4-[3-(3-ethynylphenyl)(2H,4H-benzo[3,4-e]1,3-oxazin-6-yloxy)]phenyl}phenylphosphino-1-one, and related compounds. Additionally, it is employed in the synthesis of succin(m-ethynyl)dianilide and sebaco(m-ethynyl)dianilide, acts as a crucial reagent in the multi-step synthesis of erlotinib hydrochloride, and is used in the preparation of 3-(3-ethynylphenyl)-6-methyl-2H, 4H-benzo[e]1,3-oxazine and 3-[3-(4-acetylamino-benzyl)-[1,2,4]oxadiazol-5-yl]-N-(3-ethynyl-phenyl)-propionamide.

Complexity

131

Covalently-Bonded Unit Count

EC Number

258-944-6

Exact Mass

117.057849g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

117.057849g/mol

Rotatable Bond Count