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ChemicalBook--->CAS DataBase List--->30414-53-0

30414-53-0

30414-53-0 Structure

30414-53-0 Structure
IdentificationMore
[Name]

Methyl 3-oxovalerate
[CAS]

30414-53-0
[Synonyms]

3-KETO-N-VALERIC ACID METHYL ESTER
3-KETOVALERIC ACID METHYL ESTER
3-OXOPENTANOIC ACID METHYL ESTER
3-OXOVALERIC ACID METHYL ESTER
METHYL 3-OXOPENTANOATE
METHYL 3-OXOVALERATE
METHYL PROPIONYLACETATE
MOP
PEM
PROPIONYLACETIC ACID METHYL ESTER
3-oxo-methylvalerate
Methy3-oxo-valerate
Methyl 3-oxo-n-valerate
Methyl beta-ketovalerate
methyl3-0xopentanoate
Valeric acid, 3-oxo-, methyl ester
Methylpropionlyacetate
Methyl propionylacetate Methyl 3-oxoval erate
METHYL 3-OXOVALERATE, WACKER QUALITY
Methyl-3-Oxo-Pentanoate99%
[EINECS(EC#)]

250-184-3
[Molecular Formula]

C6H10O3
[MDL Number]

MFCD00011705
[Molecular Weight]

130.14
[MOL File]

30414-53-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly yellow liquid
[Melting point ]

-35 °C
[Boiling point ]

73-74 °C5 mm Hg(lit.)
[density ]

1.037 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.422(lit.)
[Fp ]

71 °C
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform
[form ]

Liquid
[pka]

10.56±0.46(Predicted)
[color ]

Clear colorless to slightly yellow
[Specific Gravity]

1.05
[Water Solubility ]

SLIGHTLY SOLUBLE
[BRN ]

1753684
[InChIKey]

XJMIXEAZMCTAGH-UHFFFAOYSA-N
[CAS DataBase Reference]

30414-53-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Pentanoic acid, 3-oxo-, methyl ester(30414-53-0)
Safety DataBack Directory
[Hazard Codes ]

F,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[Hazard Note ]

Flammable
[HazardClass ]

IRRITANT
[HS Code ]

29183000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ammonium hydroxide-->Ammonium chloride-->Methyl acetoacetate-->2-Pentenoic acid, 3-amino-, methyl ester, (2Z)--->Hexanoicacid, 2,4-dioxo-, methyl ester-->Methyl malonyl chloride-->3-OxopentanoicAcid-->5-(1-hydroxypropylidene)-2,2-diMethyl-1,3-dioxane-4,6-dione-->METHYL 2-PENTYNOATE-->ethylmagnesium iodide-->2,2-diMethyl-5-propanoyl-1,3-dioxane-4,6-dione-->Potassium 3-methoxy-3-oxopropanoate-->Methyl cyanoacetate-->2-Butanone
[Preparation Products]

2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ACETIC ACID-->4-ETHYL-6-HYDROXY-2-METHYLPYRIMIDINE-->2-(2,5-DIMETHYL-1,3-THIAZOL-4-YL)ACETIC ACID-->METHYL 2-(2,5-DIMETHYL-1,3-THIAZOL-4-YL)ACETATE-->METHYL 4-BROMO-3-OXOPENTANOATE-->2-ETHYL-4-METHYLQUINOLINE-3-CARBOXYLIC ACID-->TAK-441-->methyl 3-oxohept-6-ynoate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 3-oxopentanoate(30414-53-0).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to slightly yellow liquid
[Uses]

Methyl 3-oxovalerate is used in the synthesis of anti-Perol stereospecific reductases that can be used in the asymmettric and environmentally friendly reduction of ketones.
[Uses]

Methyl Propionylacetate is used in the synthesis of anti-Perol stereospecific reductases that can be used in the asymmettric and environmentally friendly reduction of ketones.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 92, p. 6702, 1970 DOI: 10.1021/ja00725a088
The Journal of Organic Chemistry, 43, p. 2087, 1978 DOI: 10.1021/jo00404a066
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3-oxovalerate(30414-53-0)MS
Methyl 3-oxovalerate(30414-53-0)1HNMR
Methyl 3-oxovalerate(30414-53-0)13CNMR
Methyl 3-oxovalerate(30414-53-0)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 3-oxo-pentanoate, 99+%(30414-53-0)
[Alfa Aesar]

Methyl propionylacetate, 99%(30414-53-0)
[Sigma Aldrich]

30414-53-0(sigmaaldrich)
[TCI AMERICA]

Methyl 3-Oxovalerate,>95.0%(GC)(30414-53-0)
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