α-ketoisocaproic acid-1-13c sodium salt

α-ketoisocaproic acid-1-13c sodium salt - Names and Identifiers

Name	4-methyl-2-oxopentanoic-1-13C acid, sodium salt,
Synonyms	α-ketoisocaproic acid-1-13c sodium salt 2-Ketoisocaproic acid-1-13C sodium salt 2-Keto-4-methylpentanoic-1-13C acid sodium salt 4-methyl-2-oxopentanoic-1-13C acid, sodium salt,
CAS	93523-70-7
InChI	InChI=1/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1/i6+1

α-ketoisocaproic acid-1-13c sodium salt - Physico-chemical Properties

Molecular Formula	C6H9NaO3
Molar Mass	153.12
Melting Point	280°C (dec.)(lit.)
Storage Condition	Room Temprature

α-ketoisocaproic acid-1-13c sodium salt - Risk and Safety

WGK Germany

α-ketoisocaproic acid-1-13c sodium salt - Introduction

4-methyll-2-oxopentanoic-1-13C acid, sodium salt, is an organic compound with the chemical formula C6H9O3Na13C. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: White crystalline powder
-melting point: no specific melting point, will decompose
-Solubility: Soluble in water and some organic solvents, such as alcohols and ketones

Use:
-4-methyll-2-oxopentanoic-1-13C acid, sodium salt, is widely used in nuclear magnetic resonance (NMR) spectroscopy as a standard substance for analyzing and characterizing the structure and reaction of organic compounds.
-It can be used as a 13C marker to track the dynamics and transfer of carbon atoms in chemical reactions.

Method:
There are many methods for preparing this compound, one of which is commonly used includes the following steps:
1. First, 2-keto-4-methylvaleric acid (2-keto-4-methylvaleric acid) was synthesized;
2. Then in the 13C environment, using 13C labeled substrate (such as 13C labeled ester), under appropriate conditions to introduce 13C label to the ketone group;
3. Finally, the resulting 2-keto-4-methylvaleric acid-1-13C(2-keto-4-methylvaleric acid-1-13C) is reacted with a base (e. g., sodium hydride) to form 4-methyll-2-oxopentanoic-1-13C acid, sodium salt,.

Safety Information:
-4-methyll-2-oxopentanoic-1-13C acid, sodium salt, has very limited toxicity data on humans, but this compound is generally considered to be relatively safe.
-Nevertheless, appropriate laboratory safety measures should be taken when using any chemical, including wearing appropriate personal protective equipment (such as gloves and glasses).
-Avoid inhalation of dust or contact with skin when handling and storing the compound and avoid ingestion.
-During processing, maintain good ventilation and avoid contact with combustibles.

Last Update：2024-04-10 22:29:15