3-Pentyn-2-ol

Base Information

• Chemical Name: 3-Pentyn-2-ol
• CAS No.: 27301-54-8
• Molecular Formula: C₅H₈O
• Molecular Weight: 84.1179
• European Community (EC) Number: 626-906-1,854-387-3
• DSSTox Substance ID: DTXSID50950026
• Nikkaji Number: J377.280B
• Wikidata: Q81307649
• Mol file: 27301-54-8.mol

Synonyms:(R)-3-pentyn-2-ol;3-pentyn-2-ol

Chemical Property of 3-Pentyn-2-ol

Chemical Property:

• Boiling Point: 149.2°Cat760mmHg
• PKA: 13.21±0.20(Predicted)
• Flash Point: 56.9°C
• PSA: 20.23000
• Density: 0.911g/cm³
• LogP: 0.39050
• 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: 82.6

Purity/Quality:

99% ^*data from raw suppliers

3-Pentyn-2-ol 98+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CC(C)O

Technology Process of 3-Pentyn-2-ol

There total 27 articles about 3-Pentyn-2-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: 100.0%

1-propynylmagnesium bromide (16466-97-0,13254-27-8) + acetaldehyde (75-07-0,9002-91-9) → Pent-3-yn-2-ol (57984-70-0,58072-60-9,90242-65-2,27301-54-8)

Guidance literature:

In tetrahydrofuran;

DOI:10.1246/bcsj.67.2838

Reference yield: 79.0%

pent-3-yn-2-one (7299-55-0) → (R)-(+)-pent-3-yn-2-ol (27301-54-8,58072-60-9,90242-65-2,57984-70-0)

Guidance literature:

With C₃₈H₄₀N₂O₄RuS₂; In isopropyl alcohol; at 25 ℃; for 144h; Inert atmosphere;

DOI:10.1021/jo901817b

Reference yield: 70.0%

pent-3-yn-2-one (7299-55-0) → (S)-(+)-pent-3-yn-2-ol (27301-54-8,57984-70-0,58072-60-9,90242-65-2)

Guidance literature:

With 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene; 9-bora-bicyclo[3.3.1]nonane; In tetrahydrofuran; for 10h;

DOI:10.1021/jo9906274

upstream raw materials:

2-Pentyne

ethylmagnesium bromide

acetaldehyde

prop-1-yne

Downstream raw materials:

3-penten-2-ol

pent-3-yn-2-one

phthalic acid mono-((R)-1-methyl-but-2-ynyl) ester

4-methyl-pent-3-en-2-one