6-Formylcyclohex-2-en-1-yl acetate

Base Information

• Chemical Name: 6-Formylcyclohex-2-en-1-yl acetate
• CAS No.: 61088-60-6
• Molecular Formula: C9H12O3
• Molecular Weight: 168.192
• DSSTox Substance ID: DTXSID10510584
• Nikkaji Number: J2.936.967D
• Mol file: 61088-60-6.mol

Synonyms:61088-60-6;SCHEMBL5236969;DTXSID10510584;6-Formylcyclohex-2-en-1-yl acetate

Chemical Property of 6-Formylcyclohex-2-en-1-yl acetate

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C=CCCC1C=O

Technology Process of 6-Formylcyclohex-2-en-1-yl acetate

There total 6 articles about 6-Formylcyclohex-2-en-1-yl acetate 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: 97.0%

1-acetoxybuta-1,3-diene (1515-76-0,35694-19-0,35694-20-3) + acrolein (107-02-8,25068-14-8) → (+/-)-cis-2-acetoxy-cyclohex-3-enecarbaldehyde (52866-38-3,52866-39-4,61088-60-6)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at -78 ℃; for 1h;

DOI:10.1016/j.bmcl.2012.01.006

Reference yield: 97.0%

1-acetoxy-1,3-butadiene (1515-76-0) + acrolein (107-02-8,25068-14-8) → (+/-)-cis-2-acetoxy-cyclohex-3-enecarbaldehyde (52866-38-3,52866-39-4,61088-60-6)

Guidance literature:

With erbium(III) triflate; at 20 ℃; for 3h; regioselective reaction; Ionic liquid;

DOI:10.1016/j.apcata.2009.10.020

Reference yield: 87.0%

1-acetoxy-1,3-butadiene (1515-76-0) + acrolein (107-02-8,25068-14-8) → 6-formyl-2-cyclohexenyl acetate (61088-60-6)

Guidance literature:

With (5S)-(?)-2,2,3-trimethyl-5-benzyl-4-imidazolidinone monohydrochloride; In water; at 0 ℃; optical yield given as %ee; enantioselective reaction; Ionic liquid;

DOI:10.1016/j.tetlet.2011.01.014

upstream raw materials:

1-acetoxy-1,3-butadiene

acrolein

1-acetoxybuta-1,3-diene

1,4-dimethoxybezene

Downstream raw materials:

cis-2-Hydroxyethylcyclohex-2-enol

C₂₃H₃₆O₄Si

2-(hydroxymethyl)-6-(2-((2-methoxybenzyl)oxy)ethyl)cyclohex-2-enone

C₁₆H₂₀O₃