2-Pentyn-1-ol

Base Information

• Chemical Name: 2-Pentyn-1-ol
• CAS No.: 6261-22-9
• Molecular Formula: C5H8O
• Molecular Weight: 84.1179
• Hs Code.: 2905290000
• European Community (EC) Number: 228-411-2
• UNII: A2E2Y3AQD6
• DSSTox Substance ID: DTXSID0064177
• Nikkaji Number: J31.340H
• Wikidata: Q72500376
• Mol file: 6261-22-9.mol

Synonyms:2-Pentyn-1-ol;6261-22-9;pent-2-yn-1-ol;2-pentynol;EINECS 228-411-2;MFCD00040915;AI3-37254;2-Pentyne-1-ol;2-Pentyn-1-ol, 98%;2-Pentynyl alcohol;A2E2Y3AQD6;DTXSID0064177;AMY1239;AKOS015837601;SY048461;CS-0143646;FT-0613267;P0815;EN300-131560;F19221;A833880

Chemical Property of 2-Pentyn-1-ol

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 1.57mmHg at 25°C
• Melting Point: -49.7°C
• Refractive Index: n20/D 1.452(lit.)
• Boiling Point: 149.1 °C at 760 mmHg
• PKA: 13.04±0.10(Predicted)
• Flash Point: 58.3 °C
• PSA: 20.23000
• Density: 0.915 g/cm³
• LogP: 0.39210
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 84.057514874
• Heavy Atom Count: 6
• Complexity: 72.4

Purity/Quality:

99% ^*data from raw suppliers

2-Pentynol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC#CCO
• Uses: 2-Pentyn-1-ol was employed as starting reagent for the synthesis of (-)-muricatacin. It was also used in the preparation of (2Z)-3-tributylstannyl-2-penten-1-ol.

Technology Process of 2-Pentyn-1-ol

There total 26 articles about 2-Pentyn-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: 99.0%

n-butyllithium (109-72-8,29786-93-4) + but-1-yne (107-00-6) → pent-2-yn-1-ol (6261-22-9)

Guidance literature:

With paraformaldehyde; In tetrahydrofuran; hexane;

Reference yield: 92.0%

2-pent-2-ynyloxy-tetrahydro-pyran (6261-21-8) → pent-2-yn-1-ol (6261-22-9)

Guidance literature:

With silica gel; iron(III) chloride; for 96h; Ambient temperature;

DOI:10.1016/S0040-4020(01)96528-7

Reference yield: 90.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + but-1-yne (107-00-6) → pent-2-yn-1-ol (6261-22-9)

Guidance literature:

but-1-yne; With ethyl bromide; magnesium; In tetrahydrofuran; at 20 - 30 ℃; for 0.75h; Cooling with ice;

formaldehyd; In tetrahydrofuran; at 20 ℃; for 3h; Reflux;

With sulfuric acid; In water; Cooling with ice;

upstream raw materials:

ethyl bromide

3-(tetrahydropyran-2'-yloxy)propyne

ethyl iodide

4-chlorobut-2-yn-1-ol

Downstream raw materials:

1-bromo-pent-2-yne

cis-2-penten-1-ol

Phenyl-1-pentin-2

methyl 3-methyl-2-(2-pentynyloxy)benzoate

Refernces

• 1、 Gholap, Sandeep Suryabhan,Dakhil, Abdullah Al,Chakraborty, Priyanka,Li, Huaifeng,Dutta, Indranil,Das, Pradip K.,Huang, Kuo-Wei. "Efficient and chemoselective hydrogenation of aldehydes catalyzed by well-defined PN3-pincer manganese(ii) catalyst precursors: An application in furfural conversion". supporting information. p. 11815 - 11818. Retrieved 2021/11/30.
• 2、 -. "A tea canker-worm pheromone (Z, Z, Z) - 3, 6, 9 - triene synthetic method of eighteen carbon (by machine translation)". Paragraph 0030; 0032. . Retrieved 2018/09/28.