ChemicalBook--->CAS DataBase List--->51828-94-5

51828-94-5

51828-94-5 Structure

51828-94-5 Structure
IdentificationMore
[Name]

Calcium alpha-ketovaline
[CAS]

51828-94-5
[Synonyms]

2-KETO-3-METHYLBUTYRIC ACID CALCIUM SALT
2-KETOVALINE CALCIUM SALT
3-METHYL-2-OXOBUTYRIC ACID CALCIUM SALT
ALPHA-KETOVALINE CALCIUM SALT
CALCIUM 2-KETO-3-METHYLBUTYRATE
CALCIUM 3-METHYL-2-OXOBUTYRATE
Calcium 3-methyl-2-oxobutyrate (1:2)
CALCIUM ALPHA-KETOISOVALERATE
calcium alpha-ketovaline
α-KETOVALINE CALCIUM
Calcium-ketovaline
Calcium A-Ketovaline
a-Ketovaline Calcium
α-Ketovaline, calcium salt
alpha-Ketoisovaleric acid calcium salt
Calcium 3-Methyl-2-oxobutyrate Hydrate
Bis(2-oxo-3-methylbutyric acid)calcium salt
Bis(3-methyl-2-oxobutanoic acid)calcium salt
Bis(3-methyl-2-oxobutyric acid) calcium salt
Calcium bis(3-methyl-2-oxobutyrate)
[EINECS(EC#)]

257-456-0
[Molecular Formula]

C10H14CaO6
[MDL Number]

MFCD00002580
[Molecular Weight]

270.29
[MOL File]

51828-94-5.mol
Chemical PropertiesBack Directory
[Melting point ]

>330°C
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

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

Solid
[color ]

White to Off-White
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C5H8O3.Ca.2H/c1-3(2)4(6)5(7)8;;;/h3H,1-2H3,(H,7,8);;;
[InChIKey]

IMZGMVJQWNJKCI-UHFFFAOYSA-L
[SMILES]

C(=O)(C(=O)O)C(C)C.[Ca]
[CAS DataBase Reference]

51828-94-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2918.30.9000
Hazard InformationBack Directory
[Uses]

3-Methyl-2-oxobutyric Acid Calcium Salt is used in preparation of (Fluoreneylmethoxycarbonylamino)-methyl-butenoic Acid.
[Synthesis]

5-isopropyl-4,4’-dimethyldihydrofuran-2,3-dione 170.21g (1 mol) dissolved in methanol 1500g, fully stirred to dissolve, controlled temperature 0 ℃ to 55 ℃, add calcium hydroxide 74.09g of 740.9g of propanetriol solution, stirring reaction for 8 h

Spectrum DetailBack Directory
[Spectrum Detail]

Calcium alpha-ketovaline(51828-94-5)1HNMR
Calcium alpha-ketovaline(51828-94-5)13CNMR
Calcium alpha-ketovaline(51828-94-5)IR1
Calcium alpha-ketovaline(51828-94-5)IR2
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