7-Octen-3-one, 4,6-dimethyl-

Base Information

• Chemical Name: 7-Octen-3-one, 4,6-dimethyl-
• CAS No.: 111902-21-7
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.252
• DSSTox Substance ID: DTXSID50886578
• Nikkaji Number: J429.557I
• Mol file: 111902-21-7.mol

Synonyms:4,6-DIMETHYL-7-OCTEN-3-ONE;7-Octen-3-one, 4,6-dimethyl-;63323-26-2;DTXSID50886578

Chemical Property of 7-Octen-3-one, 4,6-dimethyl-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 7-Octen-3-one, 4,6-dimethyl-

There total 6 articles about 7-Octen-3-one, 4,6-dimethyl- 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: 70.0%

3-ethyl-2-methyl-1,5-heptadien-3-ol (111195-59-6,111195-60-9,111832-08-7,111832-09-8) → 4,6-dimethyl-oct-7-en-3-one (63323-26-2,111902-21-7)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; at 190 ℃; for 10h; under 7500600 Torr;

DOI:10.1007/BF01474218

Reference yield:

2-methyl-pent-1-en-3-one (25044-01-3) → 4,6-dimethyl-oct-7-en-3-one (63323-26-2,111902-21-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / zinc / tetrahydrofuran / 48 h / Heating

2: 70 percent / N-methylpyrrolidone / 10 h / 190 °C / 7500600 Torr

With 1-methyl-pyrrolidin-2-one; zinc; In tetrahydrofuran;

DOI:10.1007/BF01474218

Reference yield:

2-methyl-3-buten-1-ol (4516-90-9) → 4,6-dimethyl-oct-7-en-3-one (63323-26-2,111902-21-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Py

2: (i) EtMgBr, (ii) /BRN= 2848101/, (iii) aq. HCl

With pyridine;

DOI:10.1021/jo00879a003

upstream raw materials:

N-Cyclohexyldiethylketimine

(±)-2-methylbut-3-en-1-yl 4-methylbenzenesulfonate

3-ethyl-2-methyl-1,5-heptadien-3-ol

2-methyl-pent-1-en-3-one