4-Penten-2-one, 5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

Base Information

• Chemical Name: 4-Penten-2-one, 5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
• CAS No.: 55730-89-7
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.301
• European Community (EC) Number: 259-781-3
• DSSTox Substance ID: DTXSID20886146
• Mol file: 55730-89-7.mol

Synonyms:EINECS 259-781-3;4-Penten-2-one, 5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-;55730-89-7;5-(2,2,3-Trimethyl-3-cyclopenten-1-yl)pent-4-en-2-one;5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one;DTXSID20886146

Chemical Property of 4-Penten-2-one, 5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

Chemical Property:

• Vapor Pressure: 0.00858mmHg at 25°C
• Boiling Point: 266.6°Cat760mmHg
• Flash Point: 95.2°C
• PSA: 17.07000
• Density: 0.94g/cm³
• LogP: 3.51410
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(C1(C)C)C=CCC(=O)C

Technology Process of 4-Penten-2-one, 5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

There total 4 articles about 4-Penten-2-one, 5-(2,2,3-trimethyl-3-cyclopenten-1-yl)- 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: 66.0%

→ trans-α-Campholenyliden aceton (72717-16-9,55730-89-7)

Guidance literature:

Reference yield:

(+)-campholenic aldehyde (23727-15-3,91200-86-1,91819-58-8,4501-58-0) + 1-triphenylphosphoranylidene-2-propanone (1439-36-7) → 5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)-pent-3-en-2-one (55730-88-6,72717-18-1,72717-19-2,91186-03-7,91200-40-7,116002-63-2,117248-07-4) + 5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)-pent-4-en-2-one (55730-89-7)

Guidance literature:

In dichloromethane; benzene; Yield given. Yields of byproduct given;

Reference yield:

((R)-2,2,3-Trimethyl-cyclopent-3-enyl)-acetonitrile (26585-74-0) → 5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)-pent-4-en-2-one (55730-89-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / LiAlH₄ / ethyl acetate; diethyl ether / 1.5 h / 0 °C

2: CH₂Cl₂; benzene

With lithium aluminium tetrahydride; In diethyl ether; dichloromethane; ethyl acetate; benzene;

upstream raw materials:

(+)-campholenic aldehyde

1-triphenylphosphoranylidene-2-propanone

((R)-2,2,3-Trimethyl-cyclopent-3-enyl)-acetonitrile