1-Ethynylpyrene

• CAS: 34993-56-1
• Catalog Number: ACM34993561-1
• Category: Other Products
• Molecular Weight: 226.28
• Molecular Formula: C18H10
• Synonyms: 1-Pyrenylacetylene
• IUPAC Name: 1-ethynylpyrene
• Canonical SMILES: C#CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
• InChI: InChI=1S/C18H10/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h1,3-11H
• InChI Key: VEBUBSLYGRMOSZ-UHFFFAOYSA-N
• Boiling Point: 410.6 ± 14.0 °C
• Melting Point: 113 - 115 °C
• Density: 1.23 ± 0.1 g/ml
• Appearance: White solid
• Storage: -20 °C in the dark
• Complexity: 373
• Covalently-Bonded Unit Count: 1
• Emission Maximum: 397 nm
• Exact Mass: 226.07825g/mol
• Excitation Maximum: 234 - 343 nm
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 18
• MDL Number: MFCD02093933
• Monoisotopic Mass: 226.07825g/mol
• Rotatable Bond Count: 1
• XLogP3: 5.3

Synthetic Use

Downstream Synthesis Route 1

• 34993-56-1

• 34904-19-3

Reference: [1]Vilhanová, Beáta; Václavík, Jiří; Artiglia, Luca; Ranocchiari, Marco; Togni, Antonio; Van Bokhoven, Jeroen A.
[ACS Catalysis, 2017, vol. 7, p. 3414 - 3418]
[2]Benniston, Andrew C.; Harriman, Anthony; Lawrie, Donald J.; Rostron, Sarah A.
[European Journal of Organic Chemistry, 2004, # 10, p. 2272 - 2276]
[3]Nakasuji,K. et al.
[Bulletin of the Chemical Society of Japan, 1972, vol. 45, p. 875 - 882]
[4]Bylińska, Irena; Wierzbicka, Małgorzata; Czaplewski, Cezary; Wiczk, Wiesław
[Photochemical and Photobiological Sciences, 2016, vol. 15, # 1, p. 45 - 56]
[5]Feng, Lili; Hu, Tingjun; Zhang, Saisai; Xiong, Heng-Ying; Zhang, Guangwu
[Organic Letters, 2019, vol. 21, # 23, p. 9487 - 9492]

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