Diethyl Itaconate-13C5

CAS: 2409-52-1

Ref. TR-D304282

Product Information

• Name: Diethyl Itaconate-13C5
• Synonyms: (Methylene)butanedioic Acid Diethyl Ester-13C5, Diethyl Methylenesuccinate-13C5, Ethyl Itaconate-13C5, NSC 1794-13C5, NSC 67389-13C5, (Methylene)butanedioic acid diethyl ester, 1,4-Diethyl 2-methylenebutanedioate, 1,4-Diethyl 2-methylidenebutanedioate, Ai3-11186, Biolift 22AR, Butanedioic acid, 2-methylene-, 1,4-diethyl ester, Butanedioic acid, methylene-, diethyl ester, Diethyl 2-Methylidenebutanedioate, Diethyl methylenesuccinate, Ethyl itaconate, Itaconic acid diethyl ester, Nsc 1794, Nsc 67389, Succinic acid, methylene-, diethyl ester

Description

Applications Diethyl Itaconate-13C5 is an intermediate in the synthesis of Itaconic Acid-13C5 (I931004) which is a labelled analogue of Itaconic Acid, a fermentation product of carbohydrates such as glucose using Aspergillus terreus. Itaconic Acid is widely used as a co-monomer in the production of styrene-butadiene-acrylonitrile and acrylate latexes.
References Juy, M.I. et al.: Rev. Colom. Biotecnol., 12, 187 (2010); Bonnarme, P. et al.: J. Bacteriol., 177, 3573 (1995); Coskun, R. et al.: Eur. Polym. J., 43, 1428 (2007);

• Brand: TRC

Chemical properties

• Molecular weight: 421.374
• Formula: C₁₈H₂₄NO₉·Na
• Color/Form: Neat
• InChI: InChI=1S/C18H25NO9.Na/c1-8-5-4-6-9(2)14(8)26-7-10(3)19-18(25)28-17-13(22)11(20)12(21)15(27-17)16(23)24;/h4-6,10-13,15,17,20-22H,7H2,1-3H3,(H,19,25)(H,23,24);/q;+1/p-1/t10?,11?,12-,13?,15?,17+;/m1./s1
• SMILES: Cc1cccc(C)c1OCC(C)NC(=O)O[C@@H]1OC(C(=O)[O-])[C@H](O)C(O)C1O.[Na+]