3-Allyl-6-methylhept-5-en-2-one

Base Information

• Chemical Name: 3-Allyl-6-methylhept-5-en-2-one
• CAS No.: 2633-95-6
• Molecular Formula: C11H18 O
• Molecular Weight: 166.263
• Hs Code.: 2914190090
• European Community (EC) Number: 220-119-3
• DSSTox Substance ID: DTXSID40883874
• Nikkaji Number: J192.153C
• Mol file: 2633-95-6.mol

Synonyms:3-Allyl-6-methylhept-5-en-2-one;2633-95-6;EINECS 220-119-3;5-Hepten-2-one, 6-methyl-3-(2-propenyl)-;5-Hepten-2-one, 6-methyl-3-(2-propen-1-yl)-;SCHEMBL2591191;DTXSID40883874;3-Allyl-6-methyl-5-hepten-2-one;5-Hepten-2-one, 3-allyl-6-methyl-

Chemical Property of 3-Allyl-6-methylhept-5-en-2-one

Chemical Property:

• Vapor Pressure: 0.0462mmHg at 25°C
• Boiling Point: 236.9°Cat760mmHg
• Flash Point: 81.8°C
• PSA: 17.07000
• Density: 0.847g/cm³
• LogP: 3.12400
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC(CC=C)C(=O)C)C

Technology Process of 3-Allyl-6-methylhept-5-en-2-one

There total 2 articles about 3-Allyl-6-methylhept-5-en-2-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: 41.0%

6-Methyl-hept-5-en-2-on (110-93-0,129085-68-3) + 3-chloroprop-1-ene (107-05-1) → 3-allyl-6-methyl-hept-5-en-2-one (2633-95-6)

Guidance literature:

With potassium hydroxide; Aliquat 336; In toluene; at 70 ℃; for 21h;

Reference yield:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + 2-methyl-3-buten-2-ol (115-18-4) → 3-allyl-6-methyl-hept-5-en-2-one (2633-95-6)

Guidance literature:

With hexane; sodium methylate; Behandeln des erhaltenen Esters mit Allylhalogenid und Natriumaethylat in Aethanol und Erhitzen des Reaktionsprodukts mit Aluminiumalkylat bis auf 160grad;

DOI:10.1021/jo01363a021

upstream raw materials:

4-methyleneoxetan-2-one

2-methyl-3-buten-2-ol

6-Methyl-hept-5-en-2-on

3-chloroprop-1-ene