1,1-Cycloheptanedicarboxylic acid diethyl ester

Base Information

• Chemical Name: 1,1-Cycloheptanedicarboxylic acid diethyl ester
• CAS No.: 6557-83-1
• Molecular Formula: C13H22O4
• Molecular Weight: 242.315
• Mol file: 6557-83-1.mol

Synonyms:Cycloheptan-1,1-dicarbonsaeure-diethylester;cycloheptane-1,1-dicarboxylic acid diethyl ester;Cycloheptan-1,1-dicarbonsaeure-diaethylester;1,1-bis(ethoxycarbonyl)cycloheptane;

Chemical Property of 1,1-Cycloheptanedicarboxylic acid diethyl ester

Chemical Property:

• PSA: 52.60000
• LogP: 2.45320

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,1-Cycloheptanedicarboxylic acid diethyl ester

There total 7 articles about 1,1-Cycloheptanedicarboxylic acid diethyl ester 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: 99.0%

diethyl cyclohept-4-ene-1,1-dicarboxylate (6603-76-5) → diethyl cycloheptane-1,1-dicarboxylate (6557-83-1)

Guidance literature:

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; formic acid; sodium formate; In tetrahydrofuran; at 80 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c4ob02480j

Reference yield: 89.0%

2,2-di-but-3-enyl-malonic acid diethyl ester (51481-48-2) → diethyl cycloheptane-1,1-dicarboxylate (6557-83-1)

Guidance literature:

2,2-di-but-3-enyl-malonic acid diethyl ester; With dichloro(3-phenyl-1H-inden-1-ylidene)bis(tricyclohexylphosphine)ruthenium(II); In tetrahydrofuran; at 40 ℃; for 0.5h; Inert atmosphere;

With formic acid; sodium hydride; In tetrahydrofuran; at 80 ℃; for 6h; Inert atmosphere;

DOI:10.1021/acs.joc.7b02468

Reference yield: 68.0%

6-bromohexyl malonic acid diethyl ester (6557-85-3) → diethyl cycloheptane-1,1-dicarboxylate (6557-83-1)

Guidance literature:

With potassium hydroxide; 18-crown-6 ether; ethanol; In dimethyl sulfoxide; at 80 ℃; for 3.5h;

DOI:10.1021/jo00328a030

upstream raw materials:

6-bromohexyl malonic acid diethyl ester

1,6-diiodohexane

sodium diethylmalonate

diethyl cyclohept-4-ene-1,1-dicarboxylate

Downstream raw materials:

(4S,4'S)-2,2'-(cycloheptane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)

cycloheptanoic acid

cycloheptanecarbonyl chloride