CAS 54060-30-9 3-Ethynylaniline - Materials / Alfa Chemistry

NAVIGATION

3-Ethynylaniline

PRICE INQUIRY

Catalog Number

ACM54060309

CAS Number

54060-30-9

Product Name

3-Ethynylaniline

Structure

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

Purity

>98.0%(GC)

Application

The purpose of 3-Ethynylaniline, a clear yellowish to brown liquid, extends across various applications, primarily functioning as a versatile pharmaceutical intermediate. It is a key participant in click chemistry, facilitating the synthesis of complex 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, 3-Ethynylaniline is instrumental in the synthesis of succin(m-ethynyl)dianilide and sebaco(m-ethynyl)dianilide, serves as a reagent in the multi-step production of erlotinib hydrochloride, and is vital in preparing compounds like 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, showcasing its extensive utility in synthetic chemistry.

Complexity

131

Covalently-Bonded Unit Count

EC Number

258-944-6

Exact Mass

117.057849g/mol

Formal Charge

Hazard Statements

H226-H304-H315-H319-H351

Heavy Atom Count

Monoisotopic Mass