1-[4-(4-Methyl-3-pentenyl)-3-cyclohexen-1-YL]ethan-1-one

Base Information

• Chemical Name: 1-[4-(4-Methyl-3-pentenyl)-3-cyclohexen-1-YL]ethan-1-one
• CAS No.: 38758-04-2
• Molecular Formula: C14H22 O
• Molecular Weight: 206.328
• Hs Code.: 2914299000
• European Community (EC) Number: 254-116-3
• DSSTox Substance ID: DTXSID30865922
• Nikkaji Number: J24.542I
• Mol file: 38758-04-2.mol

Synonyms:38758-04-2;EINECS 254-116-3;1-[4-(4-METHYL-3-PENTENYL)-3-CYCLOHEXEN-1-YL]ETHAN-1-ONE;1-(4-(4-Methyl-3-pentenyl)-3-cyclohexen-1-yl)ethan-1-one;Ethanone, 1-(4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl)-;Ethanone, 1-(4-(4-methyl-3-pentyl)-3-cyclohexen-1-yl)-;Ethanone, 1-[4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]-;SCHEMBL1396409;DTXSID30865922;1-Acetyl-4-(4-methyl-3-pentenyl)-3-cyclohexene;1-[4-(4-Methylpent-3-en-1-yl)cyclohex-3-en-1-yl]ethan-1-one

Chemical Property of 1-[4-(4-Methyl-3-pentenyl)-3-cyclohexen-1-YL]ethan-1-one

Chemical Property:

• Vapor Pressure: 0.00192mmHg at 25°C
• Boiling Point: 291.7°Cat760mmHg
• Flash Point: 118.3°C
• PSA: 17.07000
• Density: 0.912g/cm³
• LogP: 4.04830
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC1=CCC(CC1)C(=O)C)C

Technology Process of 1-[4-(4-Methyl-3-pentenyl)-3-cyclohexen-1-YL]ethan-1-one

There total 8 articles about 1-[4-(4-Methyl-3-pentenyl)-3-cyclohexen-1-YL]ethan-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: 73.0%

7-methyl-3-methene-1,6-octadiene (123-35-3) + methyl vinyl ketone (78-94-4,25038-87-3) → 1-<4-(4-methyl-3-pentenyl)-3-cyclohexenyl>ethanone (38758-04-2)

Guidance literature:

silica gel; at 20 ℃; for 1h; Product distribution; The effect of activation of SiO₂ is investigated.;

DOI:10.1016/S0040-4039(00)80045-3

Reference yield: 40.0%

7-methyl-3-methene-1,6-octadiene (123-35-3) + methyl vinyl ketone (78-94-4,25038-87-3) → 1-<4-(4-methyl-3-pentenyl)-3-cyclohexenyl>ethanone (38758-04-2) + m-isolone

Guidance literature:

With β-Zeolite; In dichloromethane; for 1h; Heating;

Reference yield:

7-methyl-3-methene-1,6-octadiene (123-35-3) + methyl vinyl ketone (78-94-4,25038-87-3) → 1-<4-(4-methyl-3-pentenyl)-3-cyclohexenyl>ethanone (38758-04-2) + 1-<3-(4-methyl-3-pentenyl)-3-cyclohexenyl>ethanone (59742-19-7)

Guidance literature:

silica gel; at 20 ℃; for 1h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)80045-3

upstream raw materials:

7-methyl-3-methene-1,6-octadiene

methyl vinyl ketone

1(4-methyl-3-pentenyl)-4-(1-oxo-2-metholsulphinylethyl)cyclohex-1-one

1(4-methyl-3-pentenyl)-4-carbmethoxy-cyclohex-1-ene

Downstream raw materials:

C₁₆H₂₅BrO₂

O-ethyl S-3-hydroxy-3-(4-(4-methylpent-3-enyl)cyclohex-3-enyl)-2-oxobutyl carbonodithioate

C₁₈H₃₀O₂

(1S,6R,9S)-10-Ethoxy-2,2,10-trimethyl-11-oxa-tricyclo[7.2.1.0^1,6]dodecane