Methyl (R)-(-)-3-hydroxybutyrate
- CAS No.
- 3976-69-0
- Chemical Name:
- Methyl (R)-(-)-3-hydroxybutyrate
- Synonyms
- METHYL 3-HYDROXYBUTANOATE;Methyl-3-hydroxybutyrate;Methyl (R)-(-)-3-hyd;R-hydroxy butyl etherate;methyl R-3-hydroxybutanoate;METHYL (R)-3-HYDROXYBUTYRATE;METHYL 3-(R)-HYDROXYBUTYRATE;Methyl (3R)-hydroxybutanoate;METHYL D-(R)-3-HYDROXYBUTYRATE;Methyl (3R)-3-hydroxybutanoate
- CBNumber:
- CB9682595
- Molecular Formula:
- C5H10O3
- Molecular Weight:
- 118.13
- MOL File:
- 3976-69-0.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/8/19 17:35:41
| alpha | -21.5 º (neat) |
|---|---|
| Boiling point | 56-58 °C/11 mmHg (lit.) |
| Density | 1.055 g/mL at 20 °C (lit.) |
| refractive index |
n |
| Flash point | 161 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Oil |
| pka | 13.95±0.20(Predicted) |
| color | Colourless |
| optical activity | [α]20/D 19.5°, neat |
| Water Solubility | Slightly soluble in water. |
| BRN | 3648161 |
| InChI | InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1 |
| InChIKey | LDLDJEAVRNAEBW-SCSAIBSYSA-N |
| SMILES | C(OC)(=O)C[C@H](O)C |
| LogP | -0.412 (est) |
| CAS DataBase Reference | 3976-69-0(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36/37-24/25-23 | |||||||||
| RIDADR | NA 1993 / PGIII | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29181990 | |||||||||
| NFPA 704 |
|
Methyl (R)-(-)-3-hydroxybutyrate price More Price(6)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 243159 | Methyl (R)-3-hydroxybutyrate 99% | 3976-69-0 | 1G | ₹8227 | 2022-06-14 | Buy |
| TCI Chemicals (India) | H0705 | Methyl (R)-(-)-3-Hydroxybutyrate min. 98.0 % | 3976-69-0 | 10ML | ₹6900 | 2022-05-26 | Buy |
| ALFA India | ALF-L14151-14 | Methyl (R)-(-)-3-hydroxybutyrate, 98% | 3976-69-0 | 25g | ₹13007 | 2022-05-26 | Buy |
| TCI Chemicals (India) | H0705 | Methyl (R)-(-)-3-Hydroxybutyrate min. 98.0 % | 3976-69-0 | 25ML | ₹10200 | 2022-05-26 | Buy |
| ALFA India | ALF-L14151-06 | Methyl (R)-(-)-3-hydroxybutyrate, 98% | 3976-69-0 | 5g | ₹6314 | 2022-05-26 | Buy |
Methyl (R)-(-)-3-hydroxybutyrate Chemical Properties,Uses,Production
Chemical Properties
clear colorless liquid
Uses
Methyl (R)-3-hydroxybutyrate may be used in the preparation of (R)-(-)-3-hydroxybutanoic acid and poly-(R)-(-)-3-hydroxybutyrate.
General Description
Methyl (R)-(-)-3-hydroxybutyrate is a monocarboxylic acid that is metabolized by phosphofructokinase and other enzymes to produce the corresponding 3-hydroxybutyrate. This compound is synthesized from tiglic acid, which can be obtained from corynebacterium. The production of it can be optimized by using a biotransformation process.
Synthesis
In the glove box, put RuCl3 (0.69mg, 0.0033mmol), (R)-BINAP (2.3mg, 0.0036mmol), (1R,2R)-1,2-diphenyl-1,2-ethylenediamine (0.78 mg, 0.0036mmol) and isopropanol (150g) were added to a single-necked flask equipped with a magnetic stirrer, the stirring was turned on, the metal precursor and the ligand were dissolved and coordinated for 30 minutes,Obtain the catalyst solution, seal the single-neck bottle, take it out of the glove box, and pump it into a 0.5L reactor with a flat flow pump under the protection of nitrogen. The reactor has been replaced with nitrogen in advance, and the substrate methyl acetoacetate (116g, 1mol) and Potassium tert-butoxide (0.12g).After the catalyst solution was added, the reactor was replaced with hydrogen for three times, 8MPa hydrogen was charged, and the reactor was turned on for stirring and heating.When the internal temperature of the reactor reaches 100°C, open the hydrogen gas inlet valve, keep the internal pressure of the reactor at 10MPa, start timing, keep the reaction for 5 hours, the flowmeter shows that the hydrogen absorption rate is less than 0.1mL/min, terminate the reaction, and cool the reactor To room temperature, sampling and GC analysis showed that the conversion rate of raw material methyl acetoacetate was 99.9%, and the selectivity of (R)-1,3-butanediol was 8.8%.The ee value is 99.2%, and the selectivity of Methyl (R)-(-)-3-hydroxybutyrate is 90.9%.
Methyl (R)-(-)-3-hydroxybutyrate Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| CHEMSWORTH | +91-261-2397244 | New Delhi, India | 6707 | 30 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
| Akshaya Laboratories Pvt. Ltd. | 08068442225Ext 930 | Hyderabad, India | 7 | 58 | Inquiry |
| Souvenier Chemicals | 08048372762Ext 645 | Mumbai, India | 396 | 58 | Inquiry |
| Molecraft LifeSciences Pvt Ltd | +91 (91) 6018-8881 | New Delhi, India | 760 | 0 | Inquiry |
| Aditya Molecules | 08048601463 | Mumbai, India | 95 | 58 | Inquiry |
| Akshaya Laboratories Pvt. Ltd | -64642624 | Hyderabad, India | 125 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| CHEMSWORTH | 30 |
| A.J Chemicals | 58 |
| CLEARSYNTH LABS LTD. | 58 |
| TCI Chemicals (India) Pvt. Ltd. | 58 |
| Alfa Aesar | 58 |
| Akshaya Laboratories Pvt. Ltd. | 58 |
| Souvenier Chemicals | 58 |
| Molecraft LifeSciences Pvt Ltd | 0 |
| Aditya Molecules | 58 |
| Akshaya Laboratories Pvt. Ltd | 58 |
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