Diethyl cyclohexylidenepropanedioate

Base Information

• Chemical Name: Diethyl cyclohexylidenepropanedioate
• CAS No.: 41589-43-9
• Molecular Formula: C13H20 O4
• Molecular Weight: 240.299
• NSC Number: 124635
• DSSTox Substance ID: DTXSID70298614
• Nikkaji Number: J791.674D
• Wikidata: Q82040519
• Mol file: 41589-43-9.mol

Synonyms:diethyl cyclohexylidenepropanedioate;diethyl 2-cyclohexylidenepropanedioate;41589-43-9;NSC124635;SCHEMBL3179017;DTXSID70298614;NSC-124635;Propanedioic acid, 2-cyclohexylidene-, 1,3-diethyl ester

Chemical Property of Diethyl cyclohexylidenepropanedioate

Chemical Property:

• Vapor Pressure: 0.00216mmHg at 25°C
• Boiling Point: 289.7°Cat760mmHg
• Flash Point: 133.2°C
• PSA: 52.60000
• Density: 1.085g/cm³
• LogP: 2.37330
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 240.13615911
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=C1CCCCC1)C(=O)OCC

Technology Process of Diethyl cyclohexylidenepropanedioate

There total 4 articles about Diethyl cyclohexylidenepropanedioate 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: 93.0%

diethyl malonate (105-53-3) + cyclohexanecarbaldehyde (2043-61-0) → cyclohexylidene malonic acid diethyl ester (41589-43-9)

Guidance literature:

With piperidine; acetic acid; In toluene; Reflux; Dean-Stark; Inert atmosphere;

DOI:10.1002/chem.201801304

Reference yield: 68.0%

cyclopentanone (120-92-3) + diethyl malonate (105-53-3) → cyclohexylidene malonic acid diethyl ester (41589-43-9)

Guidance literature:

cyclopentanone; diethyl malonate; With titanium tetrachloride; In tetrachloromethane; at 0 ℃; for 0.5h;

With pyridine; In tetrahydrofuran; tetrachloromethane; at 0 - 20 ℃; for 21h;

Reference yield: 59.1%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + diethyl malonate (105-53-3) → cyclohexylidene malonic acid diethyl ester (41589-43-9)

Guidance literature:

With pyridine; titanium tetrachloride; In tetrahydrofuran; dichloromethane; Ambient temperature;

DOI:10.1002/hlca.19910740208

upstream raw materials:

cyclohexanone

diethyl malonate

cyclopentanone

cyclohexanecarbaldehyde

Downstream raw materials:

Vinyl-(cyclohexen-⁽¹⁾-yl)-malonsaeurediethylester

(7-Methoxy-2-methyl-2H-chromen-2-yl)-acetic acid ethyl ester

(6-Methoxy-2-methyl-2H-chromen-2-yl)-acetic acid ethyl ester

(1-Methylcyclohexyl)malonsaeure-diethylester