1-Ethynyl-4-pentylbenzene

• CAS: 79887-10-8
• Catalog Number: ACM79887108
• Category: Other Products
• Molecular Weight: 172.27
• Molecular Formula: C₁₃H₁₆
• Synonyms: 1-Ethynyl-4-pentylbenzene, 79887-10-8, 4-Pentylphenylacetylene, 1-ethynyl-4-pentyl-benzene, 4-n-Pentylphenylacetylene, 4-(Pent-1-yl)phenylacetylene, 4-Amylphenylacetylene, ACMC-209pid, AC1MCQ05, P-ETHYNYLPENTYLBENZENE, KSC491I8P, 457477_ALDRICH, CTK3J1487, MolPort-001-761-974, 1-Ethynyl-4-(pent-1-yl)benzene, ANW-37331, SBB088694, AKOS005146091, AG-H-20192, OR21955
• IUPAC Name: 1-ethynyl-4-pentylbenzene
• Canonical SMILES: CCCCCC1=CC=C(C=C1)C#C
• InChI Key: APGNXGIUUTWIRE-UHFFFAOYSA-N
• Boiling Point: 172ºC
• Flash Point: 218
• Density: 0.885
• Appearance: colourless to pale yellow transparent liquid
• Exact Mass: 172.12500
• Hazard Statements: F: Flammable
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 138220-08-3

• 79887-10-8

Reference: [1] Chemistry Letters, 2016, vol. 45, # 12, p. 1403 - 1405

Downstream Synthesis Route 1

• 79887-10-8

• 37593-02-5

Reference: [1] Chinese Chemical Letters, 2016, vol. 27, # 11, p. 1683 - 1685

Downstream Synthesis Route 2

• 79887-10-8

• 37593-02-5

Reference: [1] Applied Catalysis A: General, 2015, vol. 505, p. 213 - 216

Downstream Synthesis Route 3

• 79887-10-8
• 82632-80-2

• 125594-08-3

Reference: [1]Angewandte Chemie,1990,vol. 102,p. 200 - 202

Downstream Synthesis Route 4

• 79887-10-8
• 125962-61-0

• 1028268-65-6

Reference: [1]Zhang, Yifan; Schuster, Gary B.
[Journal of Organic Chemistry, 1994, vol. 59, # 7, p. 1855 - 1862]

* For details of the synthesis route, please refer to the original source to ensure accuracy.