CAS 79887-10-8

4-Pentylphenylacetylene

Description:

4-Pentylphenylacetylene, with the CAS number 79887-10-8, is an organic compound characterized by its alkyne functional group and a phenyl ring substituted with a pentyl group. This compound features a linear structure, where the acetylene group (–C≡C–) is directly attached to a phenyl ring that has a pentyl chain at the para position. It is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. The presence of the alkyne group imparts unique reactivity, allowing for various chemical transformations, including polymerization and coupling reactions. 4-Pentylphenylacetylene is of interest in materials science, particularly in the development of liquid crystals and organic electronics, due to its ability to form ordered structures. Its physical properties, such as melting point, boiling point, and solubility, can vary based on the specific conditions and purity of the sample. Safety data should be consulted for handling, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₁₃H₁₆

InChI: InChI=1S/C13H16/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h2,8-11H,3,5-7H2,1H3

InChI key: InChIKey=APGNXGIUUTWIRE-UHFFFAOYSA-N

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

Synonyms:

• (4-Amylphenyl)acetylene
• 1-Eth-1-ynyl-4-pentylbenzene
• 4-(1-Pentyl)phenylacetylene
• 4-N-Pentyl-1-Ethynylbenzene
• 4-Pentylphenylacetylene
• Benzene, 1-ethynyl-4-pentyl-
• Buttpark 145\20-41
• 1-Ethynyl-4-pentylbenzene

4-n-Pentylphenylacetylene, 97%

CAS: 79887-10-8

4-n-Pentylphenylacetylene is used as a pharmaceutical intermediate. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU refer

Formula: C₁₃H₁₆

Purity: 97%

Molecular weight: 172.27

Ref: 02-H60913

4-N-Pentylphenylacetylene

CAS: 79887-10-8

Formula: C₁₃H₁₆

Purity: 98%

Color and Shape: Liquid

Molecular weight: 172.2661

Ref: IN-DA0032RD

4-(Pent-1-yl)phenylacetylene

CAS: 79887-10-8

4-(Pent-1-yl)phenylacetylene

Formula: C₁₃H₁₆

Purity: 98%

Color and Shape: brown liquid

Molecular weight: 172.27g/mol

Ref: 54-OR21955

4-Ethynylpentylbenzene

CAS: 79887-10-8

Formula: C₁₃H₁₆

Purity: 95%

Color and Shape: Liquid

Molecular weight: 172.271

Ref: 10-F050170

4-Pentylphenylacetylene-d7

Controlled Product

CAS: 79887-10-8

Applications 4-Pentylphenylacetylene-d7 is an isotope labelled intermediate in the synthesis of new acid ceramidase-targeted acyclic 5-alkynyl and 5-heteroaryl uracil nucleosides.
References Mescic, A., et al.: ACS. Med. Chem. Lett., 6, 1150 (2015);

Formula: C₁₃H₉D₇

Color and Shape: Neat

Molecular weight: 179.31

Ref: TR-P283697