2-Bromo-1,6-dimethyl Ester Hexanedioic Acid

CAS: 3196-19-8

Ref. TR-B680695

Product Information

• Name: 2-Bromo-1,6-dimethyl Ester Hexanedioic Acid
• Synonyms: sodium;N-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]sulfamate
• Brand: TRC
• Description: Applications 2-Bromo-1,6-dimethyl Ester Hexanedioic Acid is an intermediate in the synthesis of 2-Hydroxyhexanedioic Acid Disodium Salt (H943015). Accumulation and excretion of 2-Hydroxyhexanedioic Acid (with 2-ketoadipic and 2-aminoadipic) in urine can be caused by 2-ketoadipic acidemia, probably without adverse phenotypic effects, due to deficiency of 2-ketoadipic dehydrogenase.References Svendsen, J., et al.: J. Chromatogr., 337, 9 (1985); Przyrembel, H., et al.: Clin. Chim. Acta 58, 257 (1975).

Chemical properties

• Molecular weight: 439.37
• Formula: C₁₆H₁₈NO₁₀S·Na
• Color/Form: Neat
• InChI: InChI=1S/C16H19NO10S.Na/c1-7-4-12(19)26-10-5-8(2-3-9(7)10)25-16-13(17-28(22,23)24)15(21)14(20)11(6-18)27-16;/h2-5,11,13-18,20-21H,6H2,1H3,(H,22,23,24);/q;+1/p-1/t11?,13?,14-,15?,16+;/m0./s1
• SMILES: Cc1cc(=O)oc2cc(O[C@@H]3OC(CO)[C@H](O)C(O)C3NS(=O)(=O)[O-])ccc12.[Na+]