1-Pentyn-3-ol, 4-methyl-, (S)-

Base Information

• Chemical Name: 1-Pentyn-3-ol, 4-methyl-, (S)-
• CAS No.: 77943-78-3
• Molecular Formula: C₆H₁₀O
• Molecular Weight: 98.1448
• DSSTox Substance ID: DTXSID50426352
• Nikkaji Number: J1.436.187A
• Wikidata: Q82239287

Synonyms:(3S)-4-methylpent-1-yn-3-ol;77943-78-3;1-Pentyn-3-ol, 4-methyl-, (S)-;(3S)-4-Methyl-1-pentyn-3-ol;DTXSID50426352;(S)-4-Methyl-1-pentyne-3-ol;EN300-1588241

Chemical Property of 1-Pentyn-3-ol, 4-methyl-, (S)-

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 85.6

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C#C)O
• Isomeric SMILES: CC(C)[C@@H](C#C)O

Technology Process of 1-Pentyn-3-ol, 4-methyl-, (S)-

There total 4 articles about 1-Pentyn-3-ol, 4-methyl-, (S)- 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:

4-methylpent-1-yn-3-one (13531-82-3) → 4-Methyl-pent-1-yn-3-ol (565-68-4,73262-61-0,73522-97-1,77943-78-3) + 4-Methyl-pent-1-yn-3-ol (565-68-4,73262-61-0,73522-97-1,77943-78-3)

Guidance literature:

With 3-pinanyl-9-borabicyclo[3.3.1]nonane; at 25 ℃; for 12h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00347a058

Reference yield:

4-methylpent-1-yn-3-one (13531-82-3) → 4-Methyl-pent-1-yn-3-ol (565-68-4,73262-61-0,73522-97-1,77943-78-3) + 4-Methyl-pent-1-yn-3-ol (565-68-4,73262-61-0,73522-97-1,77943-78-3)

Guidance literature:

With 3-pinanyl-9-borabicyclo[3.3.1]nonane; at 25 ℃; for 12h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00347a058

Reference yield:

(SS,S)-(E)-4-methyl-2-(p-tolylsulfinyl)-1-(trimethylsilyl)-1-penten-3-ol (153123-07-0) → (S)-4-methyl-1-pentyn-3-ol (77943-78-3) + (S)-4-Methyl-2-((S)-toluene-4-sulfinyl)-pent-1-en-3-ol

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1016/0040-4039(93)88112-V

upstream raw materials:

4-methylpent-1-yn-3-one

(S_S,S)-(E)-4-methyl-2-(p-tolylsulfinyl)-1-(trimethylsilyl)-1-penten-3-ol

Downstream raw materials:

(1R,3S)-2,2-Dimethyl-3-((S)-2-methyl-1-p-tolyloxythiocarbonyloxy-propyl)-cyclopropanecarboxylic acid methyl ester

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