2-Ketoglutaric Acid-13C1

Base Information

• Chemical Name: 2-Ketoglutaric Acid-13C1
• CAS No.: 108395-15-9
• Molecular Formula: C₅H₆O₅
• Molecular Weight: 147.089
• European Community (EC) Number: 694-192-9
• DSSTox Substance ID: DTXSID90439522
• Wikidata: Q82255485
• Mol file: 108395-15-9.mol

Synonyms:2-Ketoglutaric Acid-13C1;108395-15-9;2-oxo(113C)pentanedioic acid;2-Ketoglutaric Acid 13C1;SCHEMBL17127347;DTXSID90439522;CS-T-57005;2-Ketoglutaric acid-1-13C, 99 atom % 13C, 95% (CP)

Chemical Property of 2-Ketoglutaric Acid-13C1

Chemical Property:

• Melting Point: 114-117°C
• PSA: 91.67000
• LogP: -0.49510
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 147.02487812
• Heavy Atom Count: 10
• Complexity: 171

Purity/Quality:

98% ^*data from raw suppliers

2-KetoglutaricAcid-13C1 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)O)C(=O)C(=O)O
• Isomeric SMILES: C(CC(=O)O)C(=O)[13C](=O)O
• Uses: (2-Ketoglutaric Acid-13C1) Labelled 2-Ketoglutaric Acid is used in enzymic preparation and conversion to radiolabeled isocitric acid

Technology Process of 2-Ketoglutaric Acid-13C1

There total 5 articles about 2-Ketoglutaric Acid-13C1 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:

diisopropyl 2-oxopentanedioate-5-12C-1-13C → 2-oxopentanedioic-5-12C-1-13C acid (108395-15-9)

Guidance literature:

With hydrogenchloride; In water; at 110 ℃; for 3h;

Reference yield:

L-[1,2-13C]-glutamic acid (115473-56-8,108395-12-6) → 1,2-(13)C2-α-ketoglutaric acid (123953-28-6,108395-15-9) + succinic semialdehyde

Guidance literature:

With Clostridium sp. L-glutamate dehydrogenase; NADH; diothiothreitol; In aq. phosphate buffer; at 30 ℃; pH=8; Enzymatic reaction;

DOI:10.1021/ol3031186

Reference yield:

L-[1,2-13C]-glutamic acid (115473-56-8,108395-12-6) → 1,2-(13)C2-α-ketoglutaric acid (123953-28-6,108395-15-9)

Guidance literature:

With NADH oxidase; L-glutamate dehydrogenase; Enzymatic reaction;

DOI:10.1039/c2ob26981c

upstream raw materials:

L-[1,2-¹³C]-glutamic acid

Refernces

• 1、 -. "LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS". Paragraph 0149-0151. . Retrieved 2016/02/12.
• 2、 Beigi, Maryam,Waltzer, Simon,Fries, Alexander,Eggeling, Lothar,Sprenger, Georg A.,Müller, Michael. "TCA cycle involved enzymes SucA and Kgd, as well as MenD: Efficient biocatalysts for asymmetric C-C bond formation". supporting information. p. 452 - 455. Retrieved 2013/04/10.