52517-92-7

Basic information

• Product Name: OCT-1-YN-4-OL
• Synonyms: OCT-1-YN-4-OL;1-Octyn-4-ol
• CAS NO: 52517-92-7
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.19616
• Mol File: 52517-92-7.mol
• Article Data: 11

Chemical Properties

• Melting Point: -39°C (estimate)
• Boiling Point: 204.35°C (rough estimate)
• Flash Point: 134 °C
• Appearance: /
• Density: 0.8537 (estimate)
• Vapor Pressure: 0.0631mmHg at 25°C
• Refractive Index: 1.4375 (estimate)
• PKA: 14.29±0.20(Predicted)
• CAS DataBase Reference: OCT-1-YN-4-OL(CAS DataBase Reference)
• NIST Chemistry Reference: OCT-1-YN-4-OL(52517-92-7)
• EPA Substance Registry System: OCT-1-YN-4-OL(52517-92-7)

Safety Data

• Hazardous Substances Data: 52517-92-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H14O/c1-3-5-7-8(9)6-4-2/h2,8-9H,3,5-7H2,1H3

Upstream product

• 110-62-3 pentanal 
• 106-96-7 propargyl bromide 
• 2936-44-9 allenyl iodide 
• 1436-34-6 1,2-Epoxyhexane 
• 70277-75-7 lithium acetylide 
• 18295-60-8 allenylmagnesium bromide 
• 18295-60-8 propargyl magnesium bromide 

Downstream Products

• 299966-85-1 (+/-)-2,4-bis(benzyloxy)-6-(4-hydroxy-1-octynyl)-pyrimidine 
• 144293-39-0 Toluene-4-sulfonic acid 1-butyl-penta-3,4-dienyl ester 
• 61284-53-5 4-benzoyloxy-oct-1-yne 
• 1440548-97-9 C₁₅H₂₁N₃O 
• 19860-71-0 2-methyloct-2-en-4-one 
• 42104-42-7 (E)-oct-3-en-1-yne 
• 42091-89-4 (Z)-oct-3-en-1-yne 
• 67693-56-5 4-Triphenylmethoxy-1-Octyne 
• 299966-87-3 (+/-)-1-[2,6-bis(benzyloxy)-4-pyrimidinyl]-1-octyn-4-(ol carbamate) 
• 299966-83-9 (+/-)-(1Z)-1-[2,6-bis(benzyloxy)-4-pyrimidinyl]-1-octen-4-(ol carbamate) 
• 1105683-93-9 1-phenyloct-1-yn-4-ol 

Relevant articles and documents

Synthesis, characterization of active Sn(0), and its application in selective propargylation of aldehyde at room temperature in water

Active Sn(0) particles are synthesized in high yields by the chemical reduction of the blue-black stannous oxide using freshly prepared sodium stannite solution as reducing agent at 40 °C and 60 °C. The Sn(0) particles are characterized using powder XRD, SEM, and DSC. The as-synthesized Sn(0) particles are applied as reagent for the regioselective synthesis of homopropargyl alcohols from propargyl bromide and aldehydes in distilled water at room temperature (in 50%-84% yields). No assistance of heat, microwave, ultrasound, organic co-solvent, co-reagent, or inert atmosphere is required for this reaction. The propargylation reaction is highly chemoselective towards aldehyde over other less electrophilic carbonyl functional groups such as ketone, amide, and carboxylic acid. Our in-house synthesized homopropargyl alcohols can be used to synthesize conjugated 1,3-diynes.

A practical procedure of propargylation of aldehydes

An operationally simple procedure of propargylation of aldehydes in moist solvent (distilled THF) has been developed through direct addition of propargyl bromide to aldehyde substrates mediated with low valent iron or tin. The metals were spontaneously pr

A Facile Preparation of Alkenyl- and Allenylmetallic Compounds by Means of Iodine-Metal Exchange and Their Use in Organic Synthesis

Stereospecific lithium-halogen exchange of alkenyl iodides was performed upon treatment with butyllithium in non-polar solvents such as hexane, benzene, and toluene at 25 deg C to provide alkenylllithiums quantitatively with retention of the configuration.Metal-iodine ecxhange of allenyl iodides with n-BuLi, i-PrMgBr or Et2Zn was also performed effectively to afford the corresponding allenylmetallic reagents.An addition of carbonyl compounds to the metallic reagents gave homopropargylic alcohols with high regioselectivity in good yields.