Diethyl cyclohex-3-ene-1,1-dicarboxylate

Base Information

• Chemical Name: Diethyl cyclohex-3-ene-1,1-dicarboxylate
• CAS No.: 38511-09-0
• Molecular Formula: C12H18O4
• Molecular Weight: 226.273
• NSC Number: 137439
• DSSTox Substance ID: DTXSID00300517
• Nikkaji Number: J1.080.524D
• Wikidata: Q82043625
• Mol file: 38511-09-0.mol

Synonyms:diethyl cyclohex-3-ene-1,1-dicarboxylate;38511-09-0;1,1-DIETHYL CYCLOHEX-3-ENE-1,1-DICARBOXYLATE;NSC137439;SCHEMBL13755065;DTXSID00300517;NSC-137439;diethylcyclohex-3-ene-1,1-dicarboxylate;EN300-110438

Chemical Property of Diethyl cyclohex-3-ene-1,1-dicarboxylate

Chemical Property:

• Vapor Pressure: 0.00931mmHg at 25°C
• Boiling Point: 265.2°Cat760mmHg
• Flash Point: 120.4°C
• Density: 1.096g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 226.12050905
• Heavy Atom Count: 16
• Complexity: 275

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCC=CC1)C(=O)OCC

Technology Process of Diethyl cyclohex-3-ene-1,1-dicarboxylate

There total 20 articles about Diethyl cyclohex-3-ene-1,1-dicarboxylate 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: 100.0%

2-allyl-2-but-3-enyl-malonic acid diethyl ester (51481-46-0) → cyclohex-3-ene-1,1-dicarboxylic acid diethyl ester (38511-09-0)

Guidance literature:

Cl₂Ru(PCy₃)2(3-phenylindenylidene); In dichloromethane; at 25 ℃; for 0.25h;

DOI:10.1002/chem.200700256

Reference yield: 96.0%

→ cyclohex-3-ene-1,1-dicarboxylic acid diethyl ester (38511-09-0)

Guidance literature:

With cis-(N,N'-bis[2,4,6-(trimethyl)phenyl]imidazolin-2-ylidene)RuCl₂(triisopropylphosphite)(C₉H₅Ph); In toluene; at 80 ℃; for 0.5h;

Reference yield: 91.0%

2-[3-(1-tert-butyl-1H-tetrazole-5-sulfonyl)propyl]-2-(2-oxoethyl)malonic acid diethyl ester (873869-36-4) → cyclohex-3-ene-1,1-dicarboxylic acid diethyl ester (38511-09-0)

Guidance literature:

With caesium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; at 65 ℃; for 15h;

DOI:10.1021/jo051693a

upstream raw materials:

diethyl methylenemalonate

buta-1,3-diene

2-{2-[(Z)-2-Phenyl-aziridin-1-ylimino]-ethyl}-2-{3-[(E)-2-phenyl-aziridin-1-ylimino]-propyl}-malonic acid diethyl ester

2-allyl-2-but-3-enyl-malonic acid diethyl ester

Downstream raw materials:

2,4-diaza-spiro[5.5]undec-8-ene-1,3,5-trione

cyclohex-3-ene-1,1-dicarboxylic acid

4,4-Bis(brommethyl)-1-cyclohexen

4,4-bis(hydroxylmethyl)cyclohexene