3-Cyclopentylpropanal

Base Information

• Chemical Name: 3-Cyclopentylpropanal
• CAS No.: 6053-89-0
• Molecular Formula: C14H15ClN2O2
• Molecular Weight: 126.199
• Hs Code.: 2912299000
• DSSTox Substance ID: DTXSID80454522
• Wikidata: Q82276089
• Mol file: 6053-89-0.mol

Synonyms:3-cyclopentylpropanal;6053-89-0;3-cyclopentyl-propionaldehyde;Cyclopentanepropanal;Aldehydes, 4;SCHEMBL96803;BDBM81350;DTXSID80454522;UWAOHFMOWBQIJH-UHFFFAOYSA-N;MFCD09745006;AKOS005256226;SB37899;AS-47789;FT-0730628;F16152;EN300-1265808;F8886-3053;Z993017672

Chemical Property of 3-Cyclopentylpropanal

Chemical Property:

• Vapor Pressure: 1.85E-13mmHg at 25°C
• Boiling Point: 580.3°Cat760mmHg
• Flash Point: 304.8°C
• PSA: 17.07000
• Density: 1.263g/cm³
• LogP: 2.15570
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 82.6

Purity/Quality:

97% ^*data from raw suppliers

3-Cyclopentylpropanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)CCC=O

Technology Process of 3-Cyclopentylpropanal

There total 4 articles about 3-Cyclopentylpropanal 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: 83.0%

3-cyclopentyl-1-propanol (767-05-5) → 3-cyclopentylpropanal (6053-89-0)

Guidance literature:

3-cyclopentyl-1-propanol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.5h;

With triethylamine; In dichloromethane; at -78 - 20 ℃;

Reference yield: 70.0%

3-cyclopentylpropanol methyl ether → 3-cyclopentylpropanal (6053-89-0) + 3-cyclopentylpropionic acid (140-77-2)

Guidance literature:

With HOF* CH₃CN; sodium fluoride; In chloroform; water; acetonitrile; 0 deg C -> room temperature;

DOI:10.1021/jo00130a029

Reference yield:

cyclopentene (142-29-0) + acrolein (107-02-8,25068-14-8) → 3-cyclopentylpropanal (6053-89-0)

Guidance literature:

Multistep reaction; (i) B₂H₆, THF, (ii) /BRN= 741856/, H₂O;

DOI:10.1021/ja00998a041

upstream raw materials:

cyclopentene

acrolein

3-cyclopentyl-1-propanol

Downstream raw materials:

C₂₂H₃₄N₂O₂

C₂₂H₃₄N₂O₂

2-amino-5-cyclopentylpentanoic acid

C₂₀H₂₅ClN₂O₃