5-Hydroxy-pent-3-yn-2-one

Base Information

• Chemical Name: 5-Hydroxy-pent-3-yn-2-one
• CAS No.: 15441-65-3
• Molecular Formula: C5H6O2
• Molecular Weight: 98.1014
• DSSTox Substance ID: DTXSID90453288
• Wikidata: Q82274401
• Mol file: 15441-65-3.mol

Synonyms:5-hydroxy-pent-3-yn-2-one;5-hydroxy-3-pentyn-2-one;15441-65-3;3-Pentyn-2-one, 5-hydroxy-;DTXSID90453288

Chemical Property of 5-Hydroxy-pent-3-yn-2-one

Chemical Property:

• PSA: 37.30000
• LogP: -0.42890
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 98.036779430
• Heavy Atom Count: 7
• Complexity: 124

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C#CCO

Technology Process of 5-Hydroxy-pent-3-yn-2-one

There total 1 articles about 5-Hydroxy-pent-3-yn-2-one 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: 22.0%

ammonium salt of 2,6-dihydroxy-3-(β-hydroxyethyl)-4-methyl-5-cyanopyridine (94145-20-7) + benzylamine (100-46-9) → 2-pentene-1,4-dione (34218-21-8,34218-22-9,5729-47-5) + 5-hydroxypent-3-yn-2-one (15441-65-3) + 2-benzylamino-3-(β-hydroxyethyl)-4-methyl-5-cyano-6-hydroxypyridine (94145-21-8) + dibenzylamine (103-49-1)

Guidance literature:

at 200 - 210 ℃; for 12h; Further byproducts given;

DOI:10.1007/BF00513579

Reference yield:

5-hydroxypent-3-yn-2-one (15441-65-3) + methyl (3S*,4R*)-3-(((tert-butyldimethylsilyl)oxy)methyl)-3,4-dimethyl-2-oxocyclohexane-1-carboxylate → 4-oxopent-2-yn-1-yl (3S*,4R*)-3-(((tert-butyldimethylsilyl)oxy)methyl)-3,4-dimethyl-2-oxocyclohexane-1-carboxylate

Guidance literature:

With Zn₄O⁽⁶⁺⁾*6CF₃COO^(1-)=Zn₄(CF₃COO)6O; In toluene; for 48h; Reflux; Inert atmosphere;

DOI:10.1002/asia.201900368

upstream raw materials:

ammonium salt of 2,6-dihydroxy-3-(β-hydroxyethyl)-4-methyl-5-cyanopyridine

benzylamine

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