DIETHYL ITACONATE

Base Information

• Chemical Name: DIETHYL ITACONATE
• CAS No.: 57718-07-7
• Molecular Formula: C7H10O4
• Molecular Weight: 186.21
• Hs Code.: 2918990090
• Mol file: 57718-07-7.mol

Synonyms:Butanedioicacid, methylene-, 4-ethyl ester (9CI);Succinic acid, methylene-, 4-ethyl ester(7CI);β-Monoethyl itaconate;

Chemical Property of DIETHYL ITACONATE

Chemical Property:

• Vapor Pressure: 0.000324mmHg at 25°C
• Melting Point: 56 °C
• Refractive Index: 1.457
• Boiling Point: 297.4 °C at 760 mmHg
• PKA: 3.88±0.11(Predicted)
• Flash Point: 122.5 °C
• PSA: 63.60000
• Density: 1.153 g/cm³
• LogP: 0.58040
• Storage Temp.: 0-10°C

Purity/Quality:

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

4-Ethoxy-2-methylidene-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of DIETHYL ITACONATE

There total 8 articles about DIETHYL ITACONATE 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: 98.0%

ethanol (64-17-5) + 2-methylenesuccinic acid (97-65-4,25119-64-6) → 2-methylene-succinic acid 4-ethyl ester (57718-07-7)

Guidance literature:

With toluene-4-sulfonic acid; at 20 ℃; for 3h;

Reference yield: 96.0%

ethanol (64-17-5) + 2-methylenesuccinic acid (97-65-4,25119-64-6) → 2-methylene-succinic acid 4-ethyl ester (57718-07-7) + diethylitaconate (2409-52-1)

Guidance literature:

With samarium(III) chloride; at 80 ℃; for 17h; chemoselective reaction; sealed tube; Inert atmosphere;

DOI:10.1021/ol200247c

Reference yield: 60.0%

ethanol (64-17-5) + itaconic acid anhydride (2170-03-8) → 2-methylene-succinic acid 4-ethyl ester (57718-07-7)

Guidance literature:

pseudomonas fluorescens lipase; In benzene; for 24h;

DOI:10.1016/S0040-4020(01)81120-0

upstream raw materials:

ethanol

2-methylenesuccinic acid

itaconic acid anhydride

ethyl cyanoacetate

Downstream raw materials:

β-methylene butyrolactone

diethylitaconate

ethyl 2-((6S)-6-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxybenzyl)-6-methyl-2-oxopiperidin-3-yl)acetate

Refernces

• 1、 Yang, Qi-Liang,Xing, Yi-Kang,Wang, Xiang-Yang,Ma, Hong-Xing,Weng, Xin-Jun,Yang, Xiang,Guo, Hai-Ming,Mei, Tian-Sheng. "Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization". supporting information. p. 18970 - 18976. Retrieved 2019/12/04.
• 2、 Gopinath, Pushparathinam,Nilaya, Surapaneni,Muraleedharan, Kannoth Manheri. "Highly chemoselective esterification reactions and Boc/THP/TBDMS discriminating deprotections under samarium(III) catalysis". supporting information; experimental part. p. 1932 - 1935. Retrieved 2011/06/21.