Diethyl succinylo succinate

Base Information

• Chemical Name: Diethyl succinylo succinate
• CAS No.: 787-07-5
• Molecular Formula: C12H16O6
• Molecular Weight: 256.255
• Hs Code.: 2918300090
• European Community (EC) Number: 212-327-8
• NSC Number: 130894,1140
• DSSTox Substance ID: DTXSID50883582
• Nikkaji Number: J22.823K
• Mol file: 787-07-5.mol

Synonyms:787-07-5;diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate;Diethyl succinylo succinate;Diethyl succinosuccinate;Diethyl succinylsuccinate;Diethyl 1,4-cyclohexanedione-2,5-dicarboxylate;2,5-Dicarbethoxy-1,4-cyclohexanedione;Succinylsuccinic acid ethyl ester;Diethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate;Ethyl succinylsuccinate;NSC 1140;NSC 130894;1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester;2,5-Bis(ethoxycarbonyl)-1,4-cyclohexanedione;Diethyl 1,4-dioxo-2,5-cyclohexanedicarboxylate;EINECS 212-327-8;2,4 cyclohexanedione;2,4-cyclohexanedione;1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, diethyl ester;AI3-16357;Diethyl 1,5-dicarboxylate;1,4-diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate;1, 2,5-dioxo-, diethyl ester;1,4-Cyclohexanedione-2,5-dicarboxylic acid, diethyl ester;Diethyl 1,5-cyclohexanedicarboxylate;Diethyl 2,4-cyclohexanedicarboxylate;1,5-dicarboxylic acid, diethyl ester;Diethyl succinylosuccinate;Maybridge3_000560;Oprea1_558252;SCHEMBL3196831;DTXSID50883582;NSC1140;HMS1432J10;Succinylsuccinic acid diethyl ester;NSC-1140;BBL018810;CCG-40912;NSC130894;STK327990;AKOS003619109;NSC-130894;IDI1_011947;FT-0632955;EN300-136634;Diethyl cyclohexane-1,4-dione-2,5-dicarboxylate;AE-842/30158013;SR-01000631020-1;BRD-A76671339-001-01-4;1,4-Cyclohexanedione-2,5-dicarboxylic acid diethyl ester

Chemical Property of Diethyl succinylo succinate

Chemical Property:

• Vapor Pressure: 7.64E-06mmHg at 25°C
• Melting Point: 127-129 °C
• Refractive Index: 1.48
• Boiling Point: 375.7 °C at 760 mmHg
• PKA: 9.12±0.40(Predicted)
• Flash Point: 166.4 °C
• PSA: 86.74000
• Density: 1.233 g/cm³
• LogP: 0.27700
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 256.09468823
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diethyl 1,4-cyclohexanedione-2,5-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCC

Technology Process of Diethyl succinylo succinate

There total 43 articles about Diethyl succinylo succinate 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: 90.0%

ethyl (2-chloroaceto)acetate (638-07-3) → diethyl 1,4-cyclohexanedione-2,5-dicarboxylate (787-07-5)

Guidance literature:

With sodium acetate; In N,N-dimethyl-formamide; for 2h;

Reference yield: 78.0%

succinic acid diethyl ester (123-25-1) → diethyl 1,4-cyclohexanedione-2,5-dicarboxylate (787-07-5)

Guidance literature:

With sodium hydride; In 1,2-dimethoxyethane; at 60 ℃; for 15h;

DOI:10.1021/ja200503j

Reference yield: 65.0%

ethyl (2-chloroaceto)acetate (638-07-3) + 2-amino-4-<(cyclohexylmethyl)amino>pyrimidin-6-one (146203-13-6) → diethyl 1,4-cyclohexanedione-2,5-dicarboxylate (787-07-5) + (2-amino-7-cyclohexylmethyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-acetic acid ethyl ester (1089216-05-6)

Guidance literature:

2-amino-4-<(cyclohexylmethyl)amino>pyrimidin-6-one; With sodium acetate; In water; N,N-dimethyl-formamide; for 0.166667h; Inert atmosphere;

ethyl (2-chloroaceto)acetate; In water; N,N-dimethyl-formamide; for 126h; Inert atmosphere;

DOI:10.1021/ol802344w

upstream raw materials:

ethanol

ethyl 2-iodo-3-oxobutanoate

silver(I) cyanide

diethyl 2,5-(dihydroxy)terephthalate

Downstream raw materials:

1,4-cyclohexanedione bis(dimethyl acetal)

2,5-bis-(2-bromo-ethylamino)-terephthalic acid diethyl ester

diethyl 2,5-bis(methylamino)cyclohexa-1,4-diene-1,4-dicarboxylate

N,N'-bis-(2-ethoxy-phenyl)-urea

Refernces

• 1、 Green,LaForge. "-". . p. 2287,2288. Retrieved 1948.
• 2、 Song, Qing,Li, Yan,Cao, Zhongcheng,Liu, Hongyan,Tian, Chaoquan,Yang, Ziyi,Qiang, Xiaoming,Tan, Zhenghuai,Deng, Yong. "Discovery of novel 2,5-dihydroxyterephthalamide derivatives as multifunctional agents for the treatment of Alzheimer's disease". . p. 6115 - 6127. Retrieved 2018/11/23.
• 3、 Inagaki, Sho,Ukaku, Mika,Chiba, Akira,Takahashi, Fumi,Yoshimi, Yasuharu,Morita, Toshio,Kawano, Tomikazu. "Synthesis of Substituted 3(2H)-Furanones Using Alkylative Intramolecular Cyclization of Sulfonium Salts". . p. 8363 - 8369. Retrieved 2016/09/28.