3-​[[[3-​[[[(1,​1-​Dimethylethoxy)​carbonyl]​amino]​methyl]​-​5-​methyl-​1-​oxohexyl]​amino]​methyl]​-​5-​methyl-hexanoic Acid Phenylmethyl Ester

CAS: 1990538-02-7

Ref. TR-D477773

Produktinformation

• Name: 3-​[[[3-​[[[(1,​1-​Dimethylethoxy)​carbonyl]​amino]​methyl]​-​5-​methyl-​1-​oxohexyl]​amino]​methyl]​-​5-​methyl-hexanoic Acid Phenylmethyl Ester
• Synonyme: Benzyl 3-((3-(((t-Butoxycarbonyl)amino)methyl)-5-methylhexanamido)methyl)-5-methylhexanoate

Beschreibung

Applications 3-​[[[3-​[[[(1,​1-​Dimethylethoxy)​carbonyl]​amino]​methyl]​-​5-​methyl-​1-​oxohexyl]​amino]​methyl]​-​5-​methyl-hexanoic Acid Phenylmethyl Ester is an intermediate in synthesizing 4,9-Diisobutyl-1,6-diazecane-2,7-dione (D456300), an impurity of rac-Pregabalin (P704800) which is a GABA analogue used as an anticonvulsant.
References Taylor, C.P., at al.: Epilepsy Res., 14, 11 (1993), Field, M.J., et al.: Pain, 80, 391 (1999)

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 451.512
• Formel: C₂₈H₄₆N₂O₅
• Farbe/Form: Pale Yellow Oil
• InChl: InChI=1S/C12H7NO9S2.2K.2H/c13-10-5-1-4(23(16,17)18)2-6-9(5)7(12(15)22-11(6)14)3-8(10)24(19,20)21;;;;/h1-3H,13H2,(H,16,17,18)(H,19,20,21)
• InChI Key: InChIKey=RXJZMPQKFDEZGY-UHFFFAOYSA-N
• SMILES: Nc1c(S(=O)(=O)O)cc2c3c(cc(S(=O)(=O)O)cc13)C(=O)OC2=O.[K].[K]