3,4,4-Trimethyl-2-cyclopenten-1-one

Base Information

• Chemical Name: 3,4,4-Trimethyl-2-cyclopenten-1-one
• CAS No.: 30434-65-2
• Molecular Formula: C8H12O
• Molecular Weight: 124.18000
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID70334364
• Nikkaji Number: J370.825J
• Wikidata: Q82100133
• Mol file: 30434-65-2.mol

Synonyms:3,4,4-Trimethyl-2-cyclopenten-1-one;30434-65-2;3,4,4-trimethylcyclopent-2-en-1-one;2-Cyclopenten-1-one, 3,4,4-trimethyl-;3,4,4-TRIMETHYLCYCLOPENT-2-ENONE;SCHEMBL11244350;DTXSID70334364;AKOS006330164;3,4,4-trimethyl-cyclopent-2-en-1-one;3,4,4-Trimethyl-2-cyclopenten-1-one #

Chemical Property of 3,4,4-Trimethyl-2-cyclopenten-1-one

Chemical Property:

• Vapor Pressure: 1.29mmHg at 25°C
• Boiling Point: 173oC at 760 mmHg
• Flash Point: 62.1oC
• PSA: 17.07000
• Density: 0.92g/cm3
• LogP: 1.93170
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

3,4,4-TRIMETHYLCYCLOPENT-2-ENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)CC1(C)C

Technology Process of 3,4,4-Trimethyl-2-cyclopenten-1-one

There total 24 articles about 3,4,4-Trimethyl-2-cyclopenten-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: 60.0%

isobutyl 2-butenoate (589-66-2) → 3,4,4-trimethylcyclopent-2-en-1-one (30434-65-2)

Guidance literature:

With phosphorus pentoxide; phosphoric acid; at 100 ℃; for 0.05h; Inert atmosphere;

DOI:10.15227/orgsyn.083.0049

Reference yield: 46.0%

3-methoxycarbonyl-4,4-dimethylhexane-2,5-dione (99182-08-8) → 3,5,5-trimethylcyclopenten-2-one (24156-95-4) + 3,4,4-trimethylcyclopent-2-en-1-one (30434-65-2)

Guidance literature:

With sodium hydroxide; In water; for 4h; Heating;

Reference yield: 41.0%

trans-2-methyl-2,5-heptadien-4-one (38011-55-1) → 3,4,4-trimethylcyclopent-2-en-1-one (30434-65-2)

Guidance literature:

With sulfuric acid; at 60 ℃; for 6h;

DOI:10.1021/jo00002a047

upstream raw materials:

isobutyl 2-butenoate

tert-butyl crotonate

isopropyl 3,3-dimethyl-acrylate

(2E)-2-butenoic acid, cyclohexyl ester

Downstream raw materials:

Trimethyl-3,4,4-cyclopenten-2-thion

3,4,4-trimethyl-3-(4-methylphenyl)cyclopentanone

C₂₅H₃₉NO₂Si

C₂₇H₄₀N₂OSi