2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate

Base Information

• Chemical Name: 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate
• CAS No.: 1901-39-9
• Molecular Formula: C₁₂H₂₀O₃
• Molecular Weight: 212.289
• European Community (EC) Number: 217-601-0
• DSSTox Substance ID: DTXSID40940552
• Nikkaji Number: J199.725D
• Mol file: 1901-39-9.mol

Synonyms:2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate;1901-39-9;EINECS 217-601-0;Cyclopentanone,4-[2-(acetyloxy)ethyl]-2,3,3-trimethyl-;DTXSID40940552;4-[2-(Acetyloxy)ethyl]-2,3,3-trimethylcyclopentanone;Cyclopentanone, 4-(2-(acetyloxy)ethyl)-2,3,3-trimethyl-

Chemical Property of 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate

Chemical Property:

• Vapor Pressure: 0.00623mmHg at 25°C
• Boiling Point: 272°Cat760mmHg
• Flash Point: 112.8°C
• PSA: 43.37000
• Density: 0.975g/cm³
• LogP: 2.19090
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.14124450
• Heavy Atom Count: 15
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)CC(C1(C)C)CCOC(=O)C

Technology Process of 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl acetate

There total 3 articles about 2-(2,2,3-Trimethyl-4-oxocyclopentyl)ethyl 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:

(2S,4S)-2,3,3-Trimethyl-4-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-cyclopentanol → cis-4-(2-Acetoxyethyl)-2.3.3-trimethyl-cyclopentanon (70051-25-1,1901-39-9)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) CrO₃, Py, (ii) TsOH, EtOH

2: Py

With pyridine;

Reference yield:

4r-(β-Hydroxyethyl)-2c,3,3-trimethylcyclopentanon (70051-23-9) + acetic anhydride (108-24-7) → cis-4-(2-Acetoxyethyl)-2.3.3-trimethyl-cyclopentanon (70051-25-1,1901-39-9)

Guidance literature:

With pyridine;

Reference yield:

2-(2,3,3-trimethylcyclopenten-4-yl)ethyl acetate (1727-68-0) → 2,3,3-Trimethyl-4-(2-acetoxy-ethyl)-cyclopentanon (1901-39-9)

Guidance literature:

Multistep reaction; (i) NaBH₄, ZnCl₂, BF₃, (ii) aq. CrO₃;

DOI:10.1021/jo01018a035

upstream raw materials:

4r-(β-Hydroxyethyl)-2c,3,3-trimethylcyclopentanon

acetic anhydride

2-(2,3,3-trimethylcyclopenten-4-yl)ethyl acetate

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