79887-16-4

Basic information

• Product Name: 1-Eth-1-ynyl-4-(pentyloxy)benzene
• Synonyms: 4-n-pentoxyphenylacetylene;4-n-Pentylphenylacetylene;4-N-PENTYLOXYPHENYLACETYLENE;1-ETH-1-YNYL-4-(PENTYLOXY)BENZENESYNONYMS/4-N-PENTYLPHENYLACETYLENE;1-Ethynyl-4-pentyloxybenzene;1-Ethyl-4-(pentyloxy)benzene;4-Pentoxyphenylacetylene;P-ETHYNYL(PENTYLOXY)BENZENE
• CAS NO: 79887-16-4
• Molecular Formula: C₁₃H₁₆O
• Molecular Weight: 188.27
• Product Categories: Liquid crystal intermediates
• Mol File: 79887-16-4.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 113-115°C/2mm
• Flash Point: 113-115°C/2mm
• Appearance: /
• Density: 0.96 g/cm³
• Vapor Pressure: 0.011mmHg at 25°C
• Refractive Index: 1.527
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-Eth-1-ynyl-4-(pentyloxy)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Eth-1-ynyl-4-(pentyloxy)benzene(79887-16-4)
• EPA Substance Registry System: 1-Eth-1-ynyl-4-(pentyloxy)benzene(79887-16-4)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25
• Hazardous Substances Data: 79887-16-4(Hazardous Substances Data)

Usage

Chemical Properties

Colorless to light yellow liquid

Uses

Intermediates of Liquid Crystals

InChI:InChI=1/C13H16O/c1-3-5-6-11-14-13-9-7-12(4-2)8-10-13/h2,7-10H,3,5-6,11H2,1H3

Upstream product

• 125151-55-5 4-(p-pentyloxyphenyl)-2-methyl-3-butyn-2-ol 
• 5736-91-4 4-(n-pentyloxy)benzaldehyde 
• 106-41-2 4-bromo-phenol 
• 30752-18-2 1-bromo-4-pentyloxybenzene 
• 116223-55-3 1-iodo-4- (pentyloxy) benzene 
• 540-38-5 p-Iodophenol 
• 110-53-2 1-Bromopentane 
• 540492-15-7 1-(4-n-pentyloxyphenyl)-2-trimethylsilylacetylene 
• 39905-50-5 4-pentyloxyaniline 
• 628-17-1 amyl iodide 

Downstream Products

• 179162-64-2 methyl 4-[5-(4-n-pentyloxyphenyl)isoxazol-3-yl]benzoate 
• 239104-45-1 2-[2-methyl-4-(4-pentyloxy-phenylethynyl)-phenoxy]-tetrahydro-pyran 
• 34296-23-6 1,2-bis(4-n-pentyloxyphenyl)acetylene 
• 1202167-04-1 2-[(Z)-2-(4-pentyloxyphenyl)ethenyl]tetrahydrofuran 
• 1202167-05-2 2-[(E)-2-(4-pentyloxyphenyl)ethenyl]tetrahydrofuran 
• 1219634-75-9 1-(pentyloxy)-4-(4-phenylbuta-1,3-diynyl)benzene 
• 1225201-08-0 N-benzyl-3-(4-(pentyloxy)phenyl)-1-p-tolylprop-2-yn-1-amine 
• 886-66-8 1,4-diphenyl-1,3-butadiyne 
• 1258783-16-2 1-benzyl-4-(4-(pentyloxy)phenyl)-1H-1,2,3-triazole 
• 1374419-20-1 1-[2-{3-fluoro-4-(2-{4-(pentyloxy)phenyl}ethynyl)phenyl}ethynyl]-4-(pentyloxy)benzene 

Relevant articles and documents

Highly ordered smectic structures of disc-rod luminescent liquid crystals: The role of the tolane group

Two novel calamitic tolane luminogen-modified triphenylene-based discotic luminescent liquid-crystals (LLC) were rationally designed and synthesized to investigate the self-assembly competition between triphenylene discogens and tolane calamitic mesogens.

Cleavage of the Carbon–Carbon Triple Bonds of Arylacetylenes for the Synthesis of Arylnitriles without a Metal Catalyst

Cleavage of the carbon–carbon triple bonds of alkynes was achieved, which led to the synthesis of arylnitriles under transition-metal-free conditions. A vast range of terminal alkyne substrates underwent this reaction to provide the corresponding nitriles in moderate to good yields with good functional group tolerance.

Aerobic oxynitration of alkynes with tBuONO and TEMPO

An efficient method for stereoselective nitroaminoxylation of alkyne has been reported. The reaction enjoys a broad substrate scope, good functional group tolerance, and high yields. Synthetically useful α-nitroketones can be accessed through these products in a single step.