Non-3-yn-1-ol

Base Information

• Chemical Name: Non-3-yn-1-ol
• CAS No.: 31333-13-8
• Molecular Formula: C9H16O
• Molecular Weight: 140.225
• Hs Code.: 29052900
• European Community (EC) Number: 250-573-8
• DSSTox Substance ID: DTXSID80185263
• Nikkaji Number: J126.453B
• Wikidata: Q72496669
• Mol file: 31333-13-8.mol

Synonyms:3-Nonyn-1-ol;Non-3-yn-1-ol;31333-13-8;(2-Hydroxyethyl)pentylacetylene;EINECS 250-573-8;AI3-37270;1-hydroxy-3-nonin;SCHEMBL487538;DTXSID80185263;MFCD00002958;AKOS015839486;AS-56502;CS-0318122;FT-0616273;N0390;D91697;J-018383

Chemical Property of Non-3-yn-1-ol

Chemical Property:

• Appearance/Colour: clear light yellow liquid.
• Vapor Pressure: 0.0571mmHg at 25°C
• Melting Point: -16°C (estimate)
• Refractive Index: n20/D 1.457(lit.)
• Boiling Point: 111-112 ºC (20 mmHg)
• PKA: 14.37±0.10(Predicted)
• Flash Point: 94 ºC
• PSA: 20.23000
• Density: 0.888
• LogP: 1.95250
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Optimally soluble in aqueous solutions.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

3-Nonyn-1-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC#CCCO
• Uses: It is used in the synthesis of 3,3,4,4- 2 H 4 -nonanol and 3,3,4,4- 2 H 4 -nonanal.

Technology Process of Non-3-yn-1-ol

There total 15 articles about Non-3-yn-1-ol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

oxirane (75-21-8,99932-75-9) + 1-Heptyne (628-71-7) → 3-nonyn-1-ol (31333-13-8)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; In tetrahydrofuran; hexane; at -10 ℃; for 16h;

DOI:10.1039/P19920003419

Reference yield: 84.0%

1-[(tetrahydropyran-2-yl)oxy]non-3-yne (90890-91-8) → 3-nonyn-1-ol (31333-13-8)

Guidance literature:

With Amberlyst-15; In methanol; at 50 ℃; for 4h; Inert atmosphere;

DOI:10.1002/cbdv.200800210

Reference yield: 70.0%

1-Bromopentane (110-53-2) + 3-Butyn-1-ol (927-74-2) → 3-nonyn-1-ol (31333-13-8)

Guidance literature:

With lithium amide; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide;

DOI:10.1055/s-2001-14907

upstream raw materials:

3-chloro-2-pentyl-tetrahydro-furan

1-[(tetrahydropyran-2-yl)oxy]non-3-yne

oxirane

1-bromo-butane

Downstream raw materials:

C₂₇H₃₀⁽²⁾H₂P⁽¹⁺⁾*Cl^(1-)

triphenyl <(Z)-non-3-en-1-yl>phosphonium chloride

nonyl alcohol

non-3-ynoic acid

Refernces

• 1、 Yadav,Nanda,Bhaskar Rao. "Soybean lipoxygenase and horseradish peroxidase catalysed asymmetric oxidation-reduction sequence for the synthesis of chiral (Z,E) diene-diols". . p. 787 - 788. Retrieved 2007/10/03.
• 2、 Gries, Gerhard,Clearwater, John,Gries, Regine,Khaskin, Grigori,King, Skip,Schaefer, Paul. "Synergistic sex pheromone components of white-spotted tussock moth, Orgyia thyellina". . p. 1091 - 1104. Retrieved 2007/10/03.