6-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde

Base Information

• Chemical Name: 6-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
• CAS No.: 59742-20-0
• Molecular Formula: C14H22 O
• Molecular Weight: 206.328
• European Community (EC) Number: 261-900-9
• DSSTox Substance ID: DTXSID90975152
• Nikkaji Number: J298.220J
• Mol file: 59742-20-0.mol

Synonyms:59742-20-0;6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde;6-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde;EINECS 261-900-9;6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde;SCHEMBL7178073;DTXSID90975152;STL371300;AKOS015955577;CS-0367338;4-(4-Methyl-3-pentenyl)-6-methyl-3-cyclohexene-1-carbaldehyde

Chemical Property of 6-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.00291mmHg at 25°C
• Boiling Point: 284.8°C at 760 mmHg
• Flash Point: 100.5°C
• PSA: 17.07000
• Density: 0.932g/cm³
• LogP: 3.90420
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=CCC1C=O)CCC=C(C)C

Technology Process of 6-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde

There total 5 articles about 6-Methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde 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:

7-methyl-3-methene-1,6-octadiene (123-35-3) + crotonaldehyde (123-73-9,4170-30-3) → 6-methyl-4-(4'-methyl-3'-pentenyl)-3-cyclohexenecarbaldehyde (59742-20-0) + 4-methyl-1-(4-methyl-3-pentenyl)-1-cyclohexene-4-carbaldehyde (52475-86-2)

Guidance literature:

With boron trifluoride diethyl etherate; In diethylene glycol dimethyl ether; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1002/chem.200800003

Reference yield:

trans-Crotonaldehyde (123-73-9,4170-30-3) + 7-methyl-3-methene-1,6-octadiene (123-35-3) → 6-methyl-4-(4'-methyl-3'-pentenyl)-3-cyclohexenecarbaldehyde (59742-20-0) + 6-methyl-3-(4'-methyl-3'-pentenyl)-3-cyclohexenecarbaldehyde (59742-21-1)

Guidance literature:

at 200 ℃; under 760 - 3040 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts; stainless steel autoclave;

DOI:10.1002/hlca.19840670503

Reference yield:

7-methyl-3-methene-1,6-octadiene (123-35-3) + crotonaldehyde (123-73-9,4170-30-3) → 6-methyl-4-(4'-methyl-3'-pentenyl)-3-cyclohexenecarbaldehyde (59742-20-0)

Guidance literature:

at 150 ℃; im Rohr;

upstream raw materials:

trans-Crotonaldehyde

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

crotonaldehyde

Downstream raw materials:

diethyl [(hydroxy)[6-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]]methylphosphonate

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