56293-02-8

Basic information

• Product Name: 6-Heptynylbenzene
• Synonyms: 6-Heptynylbenzene;6-heptyn-1-ylbenzene
• CAS NO: 56293-02-8
• Molecular Formula: C₁₃H₁₆
• Molecular Weight: 172.27
• Mol File: 56293-02-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 80.5 °C(Press: 0.4 Torr)
• Appearance: /
• Density: 0.913±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 6-Heptynylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Heptynylbenzene(56293-02-8)
• EPA Substance Registry System: 6-Heptynylbenzene(56293-02-8)

Safety Data

• Hazardous Substances Data: 56293-02-8(Hazardous Substances Data)

Upstream product

• 14469-83-1 (5-bromopentyl)benzene 
• 1066-26-8 sodium acetylide 
• 16387-61-4 6-phenylhexanal 
• 21047-57-4 diethyl (1-diazo-2-oxopropyl)phosphonate 
• 16520-62-0 4-Phenyl-1-butyne 
• 18328-11-5 3-benzyl propionaldehyde 
• 36884-28-3 5-phenyl-1-pentanal 
• 1823-14-9 5-phenyl-1-pentyne 
• 100848-88-2 6-Phenyl-1-hexyne 
• 3761-92-0 n-hexylmagnesium bromide 
• 10201-58-8 1-phenylhept-1-ene 
• 100-52-7 benzaldehyde 
• 16002-93-0 (E)-1-phenyl-1-pentene 
• 10521-91-2 5-phenylpentan-1-ol 

Downstream Products

• 92863-18-8 8-Phenyloct-2-in-1-ol 
• 14401-85-5 C₂₄H₃₀ 
• 97075-61-1 2,2-Dimethyl-18-phenyl-octadeca-cis-9-cis-12-diensaeure-ethylester 
• 95284-71-2 16-Chlor-1-phenylhexadeca-cis-6-cis-9-dien 
• 95159-06-1 16-Chlor-1-phenylhexadeca-6,9-diin 
• 93568-65-1 1-Brom-8-phenyl-oct-2-in 
• 6108-65-2 cis,cis-1,14-Diphenyl-tetradeca-6,8-dien 
• 14401-78-6 1,12-Diphenyl-dodecen-⁽⁶⁾ 

Relevant articles and documents

A Sequential Homologation of Alkynes and Aldehydes for Chain Elongation with Optional 13C-Labeling

Terminal alkynes (RCCH) are homologated by a sequence of ruthenium-catalyzed anti-Markovnikov hydration of alkyne to aldehyde (RCH2CHO), followed by Bestmann-Ohira alkynylation of aldehyde to chain-elongated alkyne (RCH2CCH). Inverting the sequence by starting from aldehyde brings about the reciprocal homologation of aldehydes instead. The use of 13C-labeled Bestmann-Ohira reagent (dimethyl ((1-13C)-1-diazo-2-oxopropyl)phosphonate) for alkynylation provides straightforward access to singly or, through additional homologation, multiply 13C-labeled alkynes. The labeled alkynes serve as synthetic platform for accessing a multitude of specifically 13C-labeled products. Terminal alkynes with one or two 13C-labels in the alkyne unit have been submitted to alkyne-azide click reactions; the copper-catalyzed version (CuAAC) was found to display a regioselectivity of >50 000:1 for the 1,4- over the 1,5-triazine isomer, as shown analytically by 13C NMR spectroscopy.