2-Cyclohexen-1-one, 3-(2-propynyloxy)-

Base Information

• Chemical Name: 2-Cyclohexen-1-one, 3-(2-propynyloxy)-
• CAS No.: 90536-09-7
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• DSSTox Substance ID: DTXSID20465692
• Nikkaji Number: J2.276.526D
• Wikidata: Q82291849

Synonyms:2-Cyclohexen-1-one, 3-(2-propynyloxy)-;90536-09-7;DTXSID20465692

Chemical Property of 2-Cyclohexen-1-one, 3-(2-propynyloxy)-

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOC1=CC(=O)CCC1

Technology Process of 2-Cyclohexen-1-one, 3-(2-propynyloxy)-

There total 2 articles about 2-Cyclohexen-1-one, 3-(2-propynyloxy)- 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: 76.0%

1,3-cylohexanedione (504-02-9) + propargyl bromide (106-96-7) → 3-(prop-2-ynyloxy)cyclohex-2-enone (90536-09-7)

Guidance literature:

With zinc; In N,N-dimethyl-formamide; at 60 ℃; for 10h; Inert atmosphere;

DOI:10.1246/cl.2010.280

Reference yield: 72.0%

2-Iodo-3-prop-2-ynyloxy-cyclohex-2-enone → 3-(prop-2-ynyloxy)cyclohex-2-enone (90536-09-7) + 3-Methylene-3,5,6,7-tetrahydro-2H-benzofuran-4-one (95314-68-4)

Guidance literature:

With triethylamine; In acetonitrile; for 0.75h; Yields of byproduct given; Irradiation;

Reference yield: 82.0%

3-(prop-2-ynyloxy)cyclohex-2-enone (90536-09-7) + HSiPh3 (789-25-3) → 3-(2-triphenylsilanyl-allyloxy)-cyclohex-2-enone

Guidance literature:

With Grubbs catalyst first generation; In dichloromethane; for 2h; Heating;

DOI:10.1021/jo051637+

upstream raw materials:

1,3-cylohexanedione

propargyl bromide

Downstream raw materials:

C₂₃H₁₈O₂

C₂₄H₂₀O₂

C₂₄H₂₀O₂

C₂₄H₂₀O₃

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