Calcium 3-Methyl-2-oxovalerate (cas 66872-75-1)
Compound Information : Calcium 3-methyl-2-oxovalerate
| Category | Details |
|---|---|
| Name | Calcium 3-methyl-2-oxovalerate |
| CAS Number | 66872-75-1 |
| Synonyms | 2-KETO-ISOLEUCINE CALCIUM SALT; 3-METHYL-2-OXOVALERIC ACID CALCIUM SALT; D,L-α-Ketoisoleucine Calcium; rac-Bis[(R*)-2-oxo-3-methylpentanoic acid] calcium salt |
| EINECS Number | 266-505-5 |
| Molecular Formula | C₁₂H₁₈CaO₆ |
| Molecular Weight | 298.35 g/mol |
| Chemical Properties | |
| – Appearance | White to Off-White Solid |
| – Melting Point | 298–300°C |
| – Solubility | Slightly soluble in water, methanol, and aqueous bases |
| – Form | Powder |
| – Color | White to Beige |
| – Stability | Hygroscopic; store in a cool, dry place under inert atmosphere |
| – Storage Temp. | Room Temperature (2–8°C recommended for long-term storage) |
| InChIKey | PTFSVYLXDCGPFY-UHFFFAOYSA-L |
Key Notes:
- Chemical Structure:
- A calcium salt of 3-methyl-2-oxovaleric acid, containing a branched-chain keto acid moiety.
- Acts as a chiral resolving agent and intermediate in pharmaceutical synthesis.
- Applications:
- Pharmaceutical Use: Intermediate for synthesis of drugs targeting metabolic disorders (e.g., diabetes).
- Industrial Use: Catalyst in esterification and alkylation reactions.
- Supplier Information:
- Pricing: ~$15–50/g (varies by purity and order volume).
- Safety & Handling:
- GHS Classification: Harmful if swallowed (H302), causes skin/eye irritation (H315, H319).
- Precautions: Wear gloves and goggles; avoid inhalation.
- Regulatory Status:
- HS Code: 2918.30.9000 (classified under carboxylic acids with ketone/ketone functional groups).
Analytical & Handling Guidelines:
- Detection: UV-Vis spectroscopy (λmax = 243 nm in methanol).
- Stability: Hygroscopic; protect from moisture and light.
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