3-Cyclohexene-1-propanal

Base Information

• Chemical Name: 3-Cyclohexene-1-propanal
• CAS No.: 22858-74-8
• Molecular Formula: C9H14 O
• Molecular Weight: 138.21
• Hs Code.: 2912299000
• DSSTox Substance ID: DTXSID80885216
• Nikkaji Number: J422.104D
• Mol file: 22858-74-8.mol

Synonyms:3-Cyclohexene-1-propanal;22858-74-8;3-cyclohex-3-en-1-ylpropanal;3-(3-Cyclohexenyl)propanal;3-(cyclohex-3-en-1-yl)propanal;SCHEMBL5270209;DTXSID80885216;3-(3-Cyclohexen-1-yl)propanal #;3-(1-cyclohex-3-enyl)-propionaldehyde;EN300-1857724;Z1511746907

Chemical Property of 3-Cyclohexene-1-propanal

Chemical Property:

• Vapor Pressure: 0.207mmHg at 25°C
• Boiling Point: 209°Cat760mmHg
• Flash Point: 75.7°C
• PSA: 17.07000
• Density: 0.914g/cm³
• LogP: 2.32180
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC=C1)CCC=O

Technology Process of 3-Cyclohexene-1-propanal

There total 9 articles about 3-Cyclohexene-1-propanal 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%

C15H20O3S (77419-44-4) → 3-(cyclohex-3-en-1-yl)propanal (22858-74-8)

Guidance literature:

In tetrahydrofuran; for 3h; Heating;

DOI:10.1016/0040-4039(80)88094-4

Reference yield: 53.7%

carbon monoxide (201230-82-2) + 4-ethenylcyclohexene (100-40-3) → ethyl-cyclohexane (1678-91-7) + 3-(cyclohex-3-en-1-yl)propanal (22858-74-8) + (2RS)-2-<(1R)-3-Cyclohexenyl>-propanal (27008-12-4)

Guidance literature:

With hydrogen; N-dodecyl-N-(2-hydroxyethyl)-N,N-dimethylammonium bromide; {Rh(cod)[μ-S(CH2)3Si(OMe)3]}2; triphenylphosphine; In water; butan-1-ol; at 80 ℃; for 6h; under 10350.8 Torr; microemulsion/sol-gel;

DOI:10.1002/ejoc.200500244

Reference yield:

carbon monoxide (201230-82-2) + 4-ethenylcyclohexene (100-40-3) → 4-ethylcyclohexene (3742-42-5,75382-76-2) + 3-(cyclohex-3-en-1-yl)propanal (22858-74-8) + (2RS)-2-<(1R)-3-Cyclohexenyl>-propanal (27008-12-4)

Guidance literature:

With iridium cyclooctadiene acetylacetonate; hydrogen; triphenylphosphine; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 16h; under 5250.53 - 17251.7 Torr; Inert atmosphere; Autoclave;

upstream raw materials:

3-cyclohex-3-enylpropan-1-ol

carbon monoxide

4-ethenylcyclohexene

C₁₅H₂₀O₃S