ChemicalBook > CAS DataBase List > Methyl (R)-(-)-3-hydroxybutyrate

Methyl (R)-(-)-3-hydroxybutyrate

Product Name
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 (R)-(-)-3-hydroxybutyra
CBNumber
CB9682595
Molecular Formula
C5H10O3
Formula Weight
118.13
MOL File
3976-69-0.mol
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Methyl (R)-(-)-3-hydroxybutyrate Property

alpha 
-21.5 º (neat)
Boiling point:
56-58 °C/11 mmHg (lit.)
Density 
1.055 g/mL at 20 °C (lit.)
refractive index 
n20/D 1.421(lit.)
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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
243159
Product name
Methyl (R)-3-hydroxybutyrate
Purity
99%
Packaging
1g
Price
$101
Updated
2024/03/01
TCI Chemical
Product number
H0705
Product name
Methyl (R)-(-)-3-Hydroxybutyrate
Purity
>98.0%(GC)
Packaging
10mL
Price
$31
Updated
2023/06/20
TCI Chemical
Product number
H0705
Product name
Methyl (R)-(-)-3-Hydroxybutyrate
Purity
>98.0%(GC)
Packaging
25mL
Price
$60
Updated
2023/06/20
Alfa Aesar
Product number
L14151
Product name
Methyl (R)-(-)-3-hydroxybutyrate, 98%
Packaging
1g
Price
$34.65
Updated
2024/03/01
Alfa Aesar
Product number
L14151
Product name
Methyl (R)-(-)-3-hydroxybutyrate, 98%
Packaging
5g
Price
$95.65
Updated
2024/03/01
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Methyl (R)-(-)-3-hydroxybutyrate Chemical Properties,Usage,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

Raw materials

Preparation Products

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Methyl (R)-(-)-3-hydroxybutyrate Suppliers

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View Lastest Price from Methyl (R)-(-)-3-hydroxybutyrate manufacturers

Hebei Chuanghai Biotechnology Co,.LTD
Product
Methyl (R)-(-)-3-Hydroxybutyrate 3976-69-0
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2024-08-19
Hebei Mojin Biotechnology Co., Ltd
Product
Methyl (R)-(-)-3-hydroxybutyrate 3976-69-0
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-06-27
ChiRial Biomaterial Co Ltd
Product
Methyl (R)-(-)-3-Hydroxybutyrate 3976-69-0
Price
US $0.00-0.00/g
Min. Order
1g
Purity
97%
Supply Ability
10 tons
Release date
2023-03-23

3976-69-0, Methyl (R)-(-)-3-hydroxybutyrateRelated Search:

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  • 3976-69-0
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