3-(4-Methylcyclohex-3-en-1-yl)butanal

Base Information

• Chemical Name: 3-(4-Methylcyclohex-3-en-1-yl)butanal
• CAS No.: 6784-13-0
• Deprecated CAS: 154163-81-2
• Molecular Formula: C11H18O
• Molecular Weight: 166.263
• Hs Code.: 2912299000
• European Community (EC) Number: 229-846-0
• DSSTox Substance ID: DTXSID1052379
• Nikkaji Number: J298.110F
• Metabolomics Workbench ID: 44282
• Mol file: 6784-13-0.mol

Synonyms:3-(4-methylcyclohex-3-en-1-yl)butanal;6784-13-0;Limonene aldehyde;3-(4-Methyl-3-cyclohexenyl)butanal;beta,4-Dimethylcyclohex-3-ene-1-propan-1-al;3-(4-Methylcyclohex-3-en-1-yl)butyraldehyde;3-(1-methylcyclohexen-4-yl)-butyraldehyde;3-[1-methylcyclohexen-4-yl]-butyraldehyde;EINECS 229-846-0;SCHEMBL229476;DTXSID1052379;CHEBI:171824;3-(4-methyl-3-cyclohexenyl)butyraldehyde;beta,4-Dimethyl-3-Cyclohexene-1-propanal;3,4-Dimethylcyclohex-3-ene-1-propan-1-al;3-(1-methylcyclohexen-4-yl)-butyr-aldehyde;3-Cyclohexene-1-propanal, beta,4-dimethyl-;b,4-Dimethyl-3-cyclohexene-1-propanal, 9CI;3-Cyclohexene-1-propanal, .beta.,4-dimethyl-;W-110178

Chemical Property of 3-(4-Methylcyclohex-3-en-1-yl)butanal

Chemical Property:

• Boiling Point: 237.8°Cat760mmHg
• Flash Point: 95.9°C
• PSA: 17.07000
• Density: 0.905g/cm³
• LogP: 2.95790
• Water Solubility.: 86.1mg/L at 24℃
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99.9% ^*data from raw suppliers

LIMONENAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-Methylcyclohex-3-en-1-yl)butanal

There total 8 articles about 3-(4-Methylcyclohex-3-en-1-yl)butanal 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: 68.0%

carbon monoxide (201230-82-2) + limonene. (138-86-3,555-08-8,8022-90-0,9003-73-0,95327-98-3) → Terpinolene (586-62-9,69073-38-7) + 3-(4-methyl-3-cyclohexen-1-yl)-butyraldehyde (6784-13-0)

Guidance literature:

With hydrogen; In toluene; at 80 ℃; for 24h; under 30402 Torr; Catalytic behavior; Autoclave;

DOI:10.1002/cctc.201600070

Reference yield:

carbon monoxide (201230-82-2) + D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) → Terpinolene (586-62-9,69073-38-7) + 3-(4-methyl-3-cyclohexen-1-yl)-butyraldehyde (6784-13-0)

Guidance literature:

With triphenyl phosphite; (acetylacetonato)dicarbonylrhodium (l); hydrogen; In butanone; at 99.84 ℃; for 0.7h; under 31053.1 Torr; Inert atmosphere; Autoclave;

DOI:10.14233/ajchem.2019.21656

Reference yield:

carbon monoxide (201230-82-2) + D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) → 3-(4-methyl-3-cyclohexen-1-yl)-butyraldehyde (6784-13-0)

Guidance literature:

With methoxy(cyclooctadiene)rhodium(I) dimer; hydrogen; In toluene; at 70 ℃; for 9h; under 60804.1 Torr; Temperature; Pressure;

DOI:10.1016/j.apcata.2019.117406

upstream raw materials:

carbon monoxide

limonene.

D-limonene

Downstream raw materials:

2-[1-(4-Methyl-3-cyclohexenyl)ethyl]-4-methyl-4-pentenal

1-methyl-4-[3-(4-methyl-cyclohex-3-enyl)-butyl]-piperazine

N,N-diethyl-N-[3-(4-methyl-3-cyclohexenyl)butyl]amine

N,N-dimethyl-N-[3-(4-methyl-3-cyclohexenyl)butyl]amine

Refernces

• 1、 Pagar, Nitin S.,Deshpande, Raj M.. "Highly efficient rhodium-phosphite catalyzed hydroformylation of camphene and other terpenes". . p. 213 - 219. Retrieved 2018/12/11.
• 2、 Leeuwen, P. W. N. M. van,Roobeek, C. F.. "HYDROFORMYLATION OF LESS REACTIVE OLEFINS WITH MODIFIED RHODIUM CATALYSTS". . p. 343 - 350. Retrieved 2007/10/02.