4-Hexen-1-YN-3-OL

Base Information

• Chemical Name: 4-Hexen-1-YN-3-OL
• CAS No.: 10138-60-0
• Molecular Formula: C₆H₈O
• Molecular Weight: 96.1289
• DSSTox Substance ID: DTXSID701030170
• Nikkaji Number: J36.847D,J766.741H
• Mol file: 10138-60-0.mol

Synonyms:4-HEXEN-1-YN-3-OL;(E)-hex-4-en-1-yn-3-ol;10138-60-0;4-Hexene-1-yne-3-ol;(4E)-4-hexen-1-yn-3-ol;DTXSID701030170;AKOS022504333;LS-75640

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 4-Hexen-1-YN-3-OL

Chemical Property:

• Vapor Pressure: 1.04mmHg at 25°C
• Melting Point: 25°C (estimate)
• Refractive Index: 1.4460 (estimate)
• Boiling Point: 156.5°C at 760 mmHg
• PKA: 12.74±0.20(Predicted)
• Flash Point: 46.4°C
• PSA: 20.23000
• Density: 0.934g/cm³
• LogP: 0.55660
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 96.057514874
• Heavy Atom Count: 7
• Complexity: 105

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(C#C)O
• Isomeric SMILES: C/C=C/C(C#C)O

Technology Process of 4-Hexen-1-YN-3-OL

There total 20 articles about 4-Hexen-1-YN-3-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%

trans-Crotonaldehyde (123-73-9,4170-30-3) + trimethylsilylacetylene (1066-54-2) → 1-Ethynyl-2-butenyl alcohol (10138-60-0,133398-15-9,133398-16-0,59095-52-2)

Guidance literature:

trimethylsilylacetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

trans-Crotonaldehyde; In tetrahydrofuran; methanol; hexane; at -78 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1055/s-0033-1338584

Reference yield: 77.0%

trans-Crotonaldehyde (123-73-9,4170-30-3) → 1-Ethynyl-2-butenyl alcohol (10138-60-0,133398-15-9,133398-16-0,59095-52-2)

Guidance literature:

With ammonia; sodium; magnesium; In diethyl ether;

Reference yield: 76.0%

trans-Crotonaldehyde (123-73-9,4170-30-3) + acetylenemagnesium bromide (4301-14-8) → 1-Ethynyl-2-butenyl alcohol (10138-60-0,133398-15-9,133398-16-0,59095-52-2)

Guidance literature:

In tetrahydrofuran; at -78 ℃; for 2h;

DOI:10.1021/jo980482l

upstream raw materials:

trans-Crotonaldehyde

acetylenemagnesium bromide

sodium acetylide

acetylene

Downstream raw materials:

(+)(S)-trans-propenyl-ethynyl-carbinol

[((E)-Hexa-1,2,4-triene)-1-sulfinyl]-benzene

[((E)-Hex-3-en-5-yne)-2-sulfinyl]-benzene

5-phenylsulfinyl-3-penten-1-yne