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

Base Information

• Chemical Name: 2-Cyclohexen-1-one, 3-(2-propenyloxy)-
• CAS No.: 31928-96-8
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• DSSTox Substance ID: DTXSID40458980
• Nikkaji Number: J481.330H
• Wikidata: Q82282562
• Mol file: 31928-96-8.mol

Synonyms:2-Cyclohexen-1-one, 3-(2-propenyloxy)-;31928-96-8;3-prop-2-enoxycyclohex-2-en-1-one;DTXSID40458980;1-(Allyloxy)-1-cyclohexene-3-one

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

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 192

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-propenyloxy)-

There total 10 articles about 2-Cyclohexen-1-one, 3-(2-propenyloxy)- 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: 98.0%

3-Ethoxycyclohex-2-en-1-one (5323-87-5) + allyl alcohol (107-18-6) → 3-(2-Propenoxy)cyclohex-2-en-1-one (31928-96-8)

Guidance literature:

With iron(III) chloride hexahydrate; at 25 ℃; for 10h;

DOI:10.1039/c9ob00307j

Reference yield: 93.0%

1,3-cylohexanedione (504-02-9) + allyl alcohol (107-18-6) → 3-(2-Propenoxy)cyclohex-2-en-1-one (31928-96-8)

Guidance literature:

With tris(pentafluorophenyl)borate; at 20 ℃; for 0.166667h;

DOI:10.1055/s-2005-868522

Reference yield: 90.0%

hex-5-ynoic acid (53293-00-8) + allyl alcohol (107-18-6) → 3-(2-Propenoxy)cyclohex-2-en-1-one (31928-96-8)

Guidance literature:

hex-5-ynoic acid; With oxalyl dichloride; In dichloromethane; for 2.5h; Inert atmosphere;

With indium(III) chloride; In dichloromethane; for 3h; Inert atmosphere;

allyl alcohol; In dichloromethane; Inert atmosphere;

DOI:10.3762/bjoc.7.155

upstream raw materials:

1,3-Cyclohexanedione

allyl alcohol

1,3-cylohexanedione

allyl bromide

Downstream raw materials:

1,3-cylohexanedione

3-(allyloxy)-4-bromophenol

3-(allyloxy)-4-chlorophenol

3-Acetoxy-2-allyl-2-cyclohexen-1-on

Refernces

• 1、 Parvathalu, Nenavath,Agalave, Sandip G.,Mohanta, Nirmala,Gnanaprakasam, Boopathy. "Reversible chemoselective transetherification of vinylogous esters using Fe-catalyst under additive free conditions". . p. 3258 - 3266. Retrieved 2019/03/26.
• 2、 Yadav,Reddy, B. V. Subba,Mishra, Anand Kumar. "Zinc-mediated alkylation and acylation of 1,3-dicarbonyl compounds". experimental part. p. 280 - 281. Retrieved 2010/09/05.