2,3,4-Trimethylcyclopent-2-en-1-one

Base Information

• Chemical Name: 2,3,4-Trimethylcyclopent-2-en-1-one
• CAS No.: 28790-86-5
• Molecular Formula: C8H12 O
• Molecular Weight: 124.183
• DSSTox Substance ID: DTXSID4021686
• Nikkaji Number: J370.826H
• Mol file: 28790-86-5.mol

Synonyms:28790-86-5;2,3,4-Trimethylcyclopent-2-en-1-one;2-Cyclopenten-1-one, 2,3,4-trimethyl-;Cyclopentenone, trimethyl-;2,3,4-Trimethyl-2-cyclopenten-1-one;2,3,4-trimethylcyclopent-2-enone;86368-24-3;trimethylcyclopentenone;SCHEMBL2511084;DTXSID4021686;2,3,4-trimethyl-cyclopent-2-en-1-one;Cyclopent-2-ene-1-one, 2,3,4-trimethyl-;83321-16-8

Chemical Property of 2,3,4-Trimethylcyclopent-2-en-1-one

Chemical Property:

• Vapor Pressure: 0.759mmHg at 25°C
• Boiling Point: 183.7°Cat760mmHg
• Flash Point: 67.1°C
• PSA: 17.07000
• Density: 0.923g/cm³
• LogP: 1.93170
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

2,3,4-Trimethyl-2-cyclopentenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C(=C1C)C
• Uses: 2,3,4-Trimethyl-2-cyclopentenone, is an intermediate that can be used in various chemical synthesis. It is used for the synthesis of cyclic saturated compounds.

Technology Process of 2,3,4-Trimethylcyclopent-2-en-1-one

There total 30 articles about 2,3,4-Trimethylcyclopent-2-en-1-one 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: 61.0%

(2E,5E)-3-methyl-2,5-heptadien-4-one (36685-36-6,115819-12-0,115819-24-4) → 2,3,4-trimethylcyclopent-2-en-1-one (28790-86-5)

Guidance literature:

With sulfuric acid; at 60 ℃; for 6h;

DOI:10.1021/jo00002a047

Reference yield: 46.0%

2,5,6-Trimethyl-4-oxo-tetrahydro-pyran-3-carboxylic acid ethyl ester (100420-22-2) → 2,3,4-trimethylcyclopent-2-en-1-one (28790-86-5) + (1S,2S)-2,3,4-Trimethyl-5-oxo-cyclopent-3-enecarboxylic acid ethyl ester (100420-28-8,139336-61-1)

Guidance literature:

With chloro-trimethyl-silane; sodium iodide; In N,N-dimethyl-formamide; at 120 ℃;

DOI:10.1016/0040-4039(91)80577-S

Reference yield:

5-methyl-hepta-1,5-dien-3-yne (2630-54-8) → 2,3,4-trimethylcyclopent-2-en-1-one (28790-86-5)

Guidance literature:

With hydrogenchloride; at 60 - 70 ℃;

upstream raw materials:

3-methyl-hepta-2,6-dien-4-one

5-methyl-hepta-1,5-dien-3-yne

n-butyl crotonate

3,4-dimethyl-2,5-hexanedione

Downstream raw materials:

1,4-bis<1,1'-(2,3,4-trimethylcyclopentadienyl)>butane

(d,l)-2,3-dihydroxy-2,3,4-trimethylcyclopentanone

2,3,4-trimethylcyclopent-2-en-1-ol

(1α,2β,3α)-1,2,3-trimethyl-cyclopentane

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