3-Hexen-1-yne

Base Information

• Chemical Name: 3-Hexen-1-yne
• CAS No.: 2806-56-6
• Molecular Formula: C₆H₈
• Molecular Weight: 80.1295
• European Community (EC) Number: 220-547-0
• DSSTox Substance ID: DTXSID40883894
• Nikkaji Number: J133.104C,J102.110I
• Wikidata: Q82862684
• Mol file: 2806-56-6.mol

Synonyms:3-Hexen-1-yne;3-Hexen-1-yne, (3E)-;2807-09-2;2806-56-6;(E)-Hex-3-en-1-yne;3-Hexen-1-yne, (E)-;3-Hex-3-en-1-yne;(E)-3-Hexen-1-yne;(3E)-3-Hexen-1-yne;HEX-3-EN-1-YNE;DTXSID40883894;CLFYLNSQRWCJAY-AATRIKPKSA-N;EINECS 220-547-0;EN300-1763750

Chemical Property of 3-Hexen-1-yne

Chemical Property:

• Boiling Point: 67.9°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.763g/cm³
• LogP: 1.58580
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 80.062600255
• Heavy Atom Count: 6
• Complexity: 79.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CC#C
• Isomeric SMILES: CC/C=C/C#C

Technology Process of 3-Hexen-1-yne

There total 8 articles about 3-Hexen-1-yne 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:

1-butoxy-hex-2-yne (2806-89-5) → Hexen-(3)-in-(1) (2806-56-6)

Guidance literature:

With sodium amide; In ammonia;

Reference yield:

(R/S)-hex-2-yne-1,4-diol (14092-35-4) → Hexen-(3)-in-(1) (2806-56-6)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂, 2,4,6-trimethyl-pyridine / diethyl ether

2: (i) Zn, NaI, DMSO, (ii) NaSEt, liq. NH₃, (iii) KNH₂, liq. NH₃

With 2,4,6-trimethyl-pyridine; thionyl chloride; In diethyl ether;

Reference yield:

1-ethyl-4-(tetrahydro-2-pyranyloxy)-2-butyn-1-ol (14092-31-0) → Hexen-(3)-in-(1) (2806-56-6)

Guidance literature:

Multi-step reaction with 3 steps

1: TsOH / methanol / 2.5 h / Heating

2: SOCl₂, 2,4,6-trimethyl-pyridine / diethyl ether

3: (i) Zn, NaI, DMSO, (ii) NaSEt, liq. NH₃, (iii) KNH₂, liq. NH₃

With 2,4,6-trimethyl-pyridine; thionyl chloride; toluene-4-sulfonic acid; In methanol; diethyl ether;

upstream raw materials:

5-Hexyn-3-ol

1-butoxy-hex-2-yne

1,4-dichloro-hex-2-yne

sodium acetylide