(R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid
- CAS NO.：112106-16-8
- Empirical Formula: C11H20O4
- Molecular Weight: 216.27
- MDL number: MFCD30530776
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-12 23:00:55
What is (R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid?
The Uses of (R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid
(2R)??-Propyl-??butanedioic Acid 4-??(1,??1-??Dimethylethyl) Ester is an intermediate in synthesizing Brivaracetam-d7 (B677647). It is a labeled analogue of Brivaracetam, which is a 4-n-propyl analog of levetiracetam (L331500). It is also a racetam derivative with anticonvulsant properties.
Properties of (R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid
| Boiling point: | 314.5±25.0 °C(Predicted) |
| Density | 1.036±0.06 g/cm3(Predicted) |
| pka | 4.50±0.23(Predicted) |
| InChI | InChI=1S/C11H20O4/c1-5-6-8(10(13)14)7-9(12)15-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,14)/t8-/m1/s1 |
Safety information for (R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P362:Take off contaminated clothing and wash before reuse. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
Computed Descriptors for (R)-2-(2-(tert-butoxy)-2-oxoethyl)pentanoic acid
| InChIKey | FPXXLDXAXQPOIJ-MRVPVSSYSA-N |
| SMILES | C(O)(=O)[C@H](CCC)CC(OC(C)(C)C)=O |
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