Ethyl Cyanoacetate-d2

CAS: 59720-06-8

Ref. TR-E905602

Product Information

• Name: Ethyl Cyanoacetate-d2
• Synonyms: Ethyl Cyanodideuteroacetate, Ethyl Cyanoacetic-d2 Acid Ester
• Brand: TRC
• Description: Applications Ethyl Cyanoacetate-d2 is the deuterated form of Ethyl Cyanoacetate (E905555), which is a reagent used in the labeled pyrimidine and purine synthesis;Also, it is an intermediate used in the synthesis of N-(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)-β-alanine-d4 (C424342), which is an isotope labeled N-(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)-β-alanine is a metabolite of Tianeptine (T436800), a tricyclic compound with psychostimulant, anti-ulcer and anti-emetic properties. Antidepressant. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Das, S., et al.: J. Med. Chem., 52, 5937 (2009), Kim, K., et al.: Bioorg. Med. Chem. Lett., 19, 5225 (2009); Malen, C., et al.: Experientia, 28, 811 (1972), Safa, A., et al.: J. Biol. Chem., 262, 7884 (1987), Ford, J.M., et al.: Pharmacol. Rev., 42, 155, (1990), Pierre, A., et a.: Cancer Res., 51, 2312 (1991), Nair, M. et al.: Analyst, 123, 2267 (1998)

Chemical properties

• Molecular weight: 115.127
• Formula: C₅D₂H₅NO₂
• Color/Form: Neat
• InChI: InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3/i3D2
• InChI key: InChIKey=FKRCODPIKNYEAC-SMZGMGDZSA-N
• SMILES: [2H]C([2H])(C#N)C(=O)OCC