ChemicalBook--->CAS DataBase List--->13613-65-5

13613-65-5

13613-65-5 Structure

13613-65-5 Structure
IdentificationBack Directory
[Name]

(R)-(-)-3-HYDROXYBUTYRIC ACID, SODIUM SALT
[CAS]

13613-65-5
[Synonyms]

KTX 0101
[R]-3-Hydroxbutanoic acid
SODIUM D-3-HYDROXYBUTYRATE
SodiuM D-β-Hydroxybutyrate
Sodium (R)-3-hydroxybutyrate
sodiuM(R)-3-hydroxybutanoate
(R)-3-hydroxybutyrate sodium
D-(-)-beta-Hydroxybutyricacid
sodiuM (3R)-3-hydroxybutanoate
(R)-(-)-SODIUM- 3-HYDROXYBUTYRATE
(R)-3-Hydroxybutanoic acid sodium
Sodium -3-Hydroxybutyrate-2,4-13C2
(R)-(-)-3-HydroxyButyric Acid Sodium
(R)-3-HYDROXYBUTYRIC ACID SODIUM SALT
[R]-3-HYDROXBUTANOIC ACID SODIUM SALT
(R)-3-Hydroxybutyric Acid,Sadium Salt
(3R)-3-Hydroxybutanoic Acid SodiuM Salt
(R)-3-Hydroxybutanoic Acid Sodium Salt
(R)-(-)-3-HYDROXYBUTYRIC ACID, SODIUM SA
(R)-(-)-3-Hydroxybutyric acid sodium saL
D-(-)-BETA-HYDROXYBUTYRIC ACID SODIUM SALT
(R)-3-Hydroxybutanoic Acid MonosodiuM Salt
(R)-(-)-3-HYDROXYBUTYRIC ACID, SODIUM SALT
D-(-)-3-Hydroxybutyric Acid MonosodiuM Salt
(R)-()-3-Hydroxyisobutyric acid Sodium salt
Natural (R)-3-Hydroxybutanoic Acid Sodium Salt
(R)-(-)-3-HYDROXYBUTYRIC ACID, SODIUM SALT Basic information
(R)-(-)-3-Hydroxybutyric acid sodiuM salt optical purity ee: 99% (GLC)
[EINECS(EC#)]

203-536-5
[Molecular Formula]

C4H7NaO3
[MDL Number]

MFCD00077788
[MOL File]

13613-65-5.mol
[Molecular Weight]

126.09
Chemical PropertiesBack Directory
[Melting point ]

149-155 °C(lit.)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Optical Rotation]

[α]22/D 14°, c = 10 in H2O
[Water Solubility ]

Water: 100 mg/mL (793.08 mM)
[BRN ]

6118796
[Stability:]

Hygroscopic
[Cosmetics Ingredients Functions]

ANTI-SEBUM
SKIN CONDITIONING - HUMECTANT
PLASTICISER
SKIN CONDITIONING - MISCELLANEOUS
[InChI]

InChI=1/C4H8O3.Na.H/c1-3(5)2-4(6)7;;/h3,5H,2H2,1H3,(H,6,7);;/t3-;;/s3
[InChIKey]

DIKSWKJUJFMKBT-LPWWCTNINA-N
[SMILES]

C(C(=O)O)[C@H](O)C.[NaH] |&1:4,r|
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[F ]

3-10
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

mp 165-167°C
[Uses]

chiral synthon
[Uses]

Optically active 3-hydroxybutyric acids are key intermediates of the biosynthesis and metabolism of fatty acids and exist widely in biological systems.
[Synthesis]

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

3976-69-0

(R)-(-)-3-HYDROXYBUTYRIC ACID, SODIUM SALT

13613-65-5

In a 500 mL three-necked flask, methyl (R)-3-hydroxybutyrate (76.0 g) made from Example 1 was added, followed by 300 mL of water. The reaction temperature was controlled to be below 30 °C, and sodium hydroxide (25.8 g) was added slowly in batches over a period of 3 hours. After addition, maintain the temperature no higher than 10°C and continue to stir the reaction for 3 hours until the reaction is complete. Add 0.3 g of activated carbon and filter after continuous stirring for 0.5 hours. The filtrate was concentrated to 100 mL, at which time a large amount of solid precipitated. Crystallization was stirred at room temperature for 1 hour, centrifuged and dried in vacuum to obtain 68.9 g of (R)-(-)-3-hydroxybutyric acid sodium salt as a white solid with a yield of 85.0% and an ee value of 91.5%.

[References]

[1] Patent: CN107162893, 2017, A. Location in patent: Paragraph 0042; 0043
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(-)-3-HYDROXYBUTYRIC ACID, SODIUM SALT(13613-65-5)1HNMR
(R)-(-)-3-HYDROXYBUTYRIC ACID, SODIUM SALT(13613-65-5)IR1
(R)-(-)-3-HYDROXYBUTYRIC ACID, SODIUM SALT(13613-65-5)IR2
(R)-(-)-3-HYDROXYBUTYRIC ACID, SODIUM SALT(13613-65-5)Raman
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