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

Methyl-(R)-(-)-3-hydroxybutyrat

Bezeichnung:Methyl-(R)-(-)-3-hydroxybutyrat

CAS-Nr3976-69-0

Englisch Name:Methyl (R)-(-)-3-hydroxybutyrate

CBNumberCB9682595

SummenformelC5H10O3

Molgewicht118.13

MOL-Datei3976-69-0.mol

Synonyma

Methyl-(R)-(-)-3-hydroxybutyrat

Methyl-(R)-(-)-3-hydroxybutyrat physikalisch-chemischer Eigenschaften

alpha	-21.5 º (neat)
Siedepunkt	56-58 °C/11 mmHg (lit.)
Dichte	1.055 g/mL at 20 °C (lit.)
Brechungsindex	n20/D 1.421(lit.)
Flammpunkt	161 °F
storage temp.	2-8°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Oil
pka	13.95±0.20(Predicted)
Farbe	Colourless
Optische Aktivität	[α]20/D 19.5°, neat
Wasserlöslichkeit	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 Datenbank	3976-69-0(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36/37-24/25-23
RIDADR	NA 1993 / PGIII
WGK Germany	3
HS Code	29181990

Gefahreninformationscode (GHS)

Methyl (R)-(-)-3-hydroxybutyrate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
S23:Gas/Rauch/Dampf/Aerosol nicht einatmen(geeignete Bezeichnung(en) vom Hersteller anzugeben).
Chemische Eigenschaften
clear colorless liquid
Verwenden
Methyl (R)-3-hydroxybutyrate may be used in the preparation of (R)-(-)-3-hydroxybutanoic acid and poly-(R)-(-)-3-hydroxybutyrate.
Allgemeine Beschreibung
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.
Synthese
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 Upstream-Materialien And Downstream Produkte

Methyl-(R)-(-)-3-hydroxybutyrat Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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