CAS 75659-50-6

1-Ethynyl-2-(1-methylethyl)benzene

Description:

1-Ethynyl-2-(1-methylethyl)benzene, also known as isopropyl phenylacetylene, is an organic compound characterized by its alkyne functional group and aromatic ring. It features a phenyl group substituted with an ethynyl group at the first position and an isopropyl group at the second position of the benzene ring. This compound is typically a colorless to pale yellow liquid with a distinct aromatic odor. It is relatively hydrophobic, showing low solubility in water but good solubility in organic solvents. The presence of the ethynyl group contributes to its reactivity, making it a useful intermediate in organic synthesis, particularly in the formation of more complex molecules through reactions such as cross-coupling. Additionally, the compound may exhibit moderate volatility and can be flammable, necessitating careful handling and storage. Its applications can extend to materials science and the development of pharmaceuticals, where its unique structural features can be leveraged for specific chemical transformations.

Formula: C₁₁H₁₂

InChI: InChI=1S/C11H12/c1-4-10-7-5-6-8-11(10)9(2)3/h1,5-9H,2-3H3

InChI key: InChIKey=WHDJBWFKMSCTKZ-UHFFFAOYSA-N

SMILES: C(#C)C1=C(C(C)C)C=CC=C1

Synonyms:

• 1-Ethynyl-2-(1-methylethyl)benzene
• 1-Ethynyl-2-(propan-2-yl)benzene
• Benzene, 1-ethynyl-2-(1-methylethyl)-
• o-Isopropylphenylacetylene
• 1-Ethynyl-2-isopropylbenzene

1-Ethynyl-2-(propan-2-yl)benzene

CAS: 75659-50-6

1-Ethynyl-2-(propan-2-yl)benzene is an organic compound with the chemical formula C8H8. It is a colorless liquid that readily undergoes electrophilic substitution reactions, such as alkylation, acylation, halogenation and nitration. 1-Ethynyl-2-(propan-2-yl)benzene can be synthesized by two different pathways: (1) by the reaction of benzene and propyne or (2) by the reaction of ethyne and propane. The first pathway involves an intramolecular alkyl group shift, while the second pathway requires activation via an electron transfer agent. The product of this latter process is 1-(prop-2-ynyl)benzene.

Formula: C₁₁H₁₂

Purity: Min. 95%

Molecular weight: 144.21 g/mol

Ref: 3D-ADA65950