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Methyl 3-oxovalerate

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Name

Methyl 3-oxovalerate

EINECS 250-184-3
CAS No. 30414-53-0 Density 1.015 g/cm3
PSA 43.37000 LogP 0.52860
Solubility slightly soluble in water Melting Point -35 °C
Formula C6H10O3 Boiling Point 207.8 °C at 760 mmHg
Molecular Weight 130.144 Flash Point 71.1 °C
Transport Information N/A Appearance clear colorless to slightly yellow liquid
Safety 24/25-36-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 30414-53-0 (Methyl 3-oxovalerate) Hazard Symbols FlammableF, IrritantXi
Synonyms

Valericacid, 3-oxo-, methyl ester (7CI,8CI);3-Oxopentanoic acid methyl ester;3-Oxovaleric acid methyl ester;Methyl 3-oxopentanoate;Methyl propanoylacetate;Methyl propionylacetate;Methyl b-ketovalerate;

Article Data 32

Methyl 3-oxovalerate Synthetic route

105-45-3

acetoacetic acid methyl ester

74-88-4

methyl iodide

30414-53-0

methyl propanoyl acetate

Conditions
ConditionsYield
With n-butyllithium; sodium hydride In tetrahydrofuran; ethanol at 20℃; for 3h;97%
(i) NaH, THF, (ii) nBuLi, hexane, (iii) /BRN= 969135/, aq. HCl, Et2O; Multistep reaction;
With n-butyllithium; sodium hydride 1) THF, 0 deg C, 20 min, 2) THF, room temperature, 30 min; Yield given. Multistep reaction;
67-56-1

methanol

64074-05-1

2,2-dimethyl-5-propanoyl-1,3-dioxan-4,6-dione

30414-53-0

methyl propanoyl acetate

Conditions
ConditionsYield
for 0.0666667h; microwave irradiation;90%
at 80℃; for 3h; Reflux;
67-56-1

methanol

66696-76-2

5-(1-hydroxypropylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

30414-53-0

methyl propanoyl acetate

Conditions
ConditionsYield
Heating;87%
24342-04-9

methyl pent-2-ynoate

30414-53-0

methyl propanoyl acetate

Conditions
ConditionsYield
With silica-supported HgSO4/H2SO4/H2O In dichloromethane at 40℃; for 5h;86%
616-38-6

carbonic acid dimethyl ester

78-93-3

butanone

30414-53-0

methyl propanoyl acetate

Conditions
ConditionsYield
Stage #1: carbonic acid dimethyl ester With sodium hydride at 20℃; Inert atmosphere;
Stage #2: butanone for 4h; Inert atmosphere; Reflux;
75%
Stage #1: carbonic acid dimethyl ester With sodium hydride In toluene Reflux; Inert atmosphere;
Stage #2: butanone In toluene Reflux; Inert atmosphere;
With sodium hydride In toluene Inert atmosphere; Reflux;
With sodium hydride In toluene Inert atmosphere; Reflux;

2-ethyl-2-(2-methoxy-2-oxoethyl)malonic acid

30414-53-0

methyl propanoyl acetate

Conditions
ConditionsYield
Stage #1: 2-ethyl-2-(2-methoxy-2-oxoethyl)malonic acid With ammonia In methanol at 20℃; Electrochemical reaction;
Stage #2: With hydrogenchloride In methanol; water at 20℃;
75%
79-03-8

propionyl chloride

30414-53-0

methyl propanoyl acetate

Conditions
ConditionsYield
With calcium hydroxide In dichloromethane; ammonia; butanone71%
10467-10-4

ethylmagnesium iodide

105-34-0

methyl 2-cyanoacetate

30414-53-0

methyl propanoyl acetate

Conditions
ConditionsYield
In diethyl ether for 60h;57%
37517-81-0

3-chloro-3-oxopropanoic acid methyl ester

925-90-6

ethylmagnesium bromide

30414-53-0

methyl propanoyl acetate

Conditions
ConditionsYield
Stage #1: ethylmagnesium bromide With pentadec-1-yne In diethyl ether at 0 - 20℃; for 1.33333h; Inert atmosphere;
Stage #2: 3-chloro-3-oxopropanoic acid methyl ester In diethyl ether at 0℃; for 0.666667h; Inert atmosphere;
35%
10191-25-0

3-oxo-valeric acid

30414-53-0

methyl propanoyl acetate

Conditions
ConditionsYield
With diethyl ether

Methyl 3-oxovalerate Chemical Properties

IUPAC Name:methyl 3-oxopentanoate
Molecular Formula:C6H10O3
Molecular Weight:130.141800 g/mol
Melting Point:-35 °C
Boiling Point:73-74 °C5 mm Hg(lit.)
Flash Point:71 °C
density:1.037 g/mL at 25 °C(lit.)
refractive index:n20/D 1.422(lit.)  
Water Solubility:SLIGHTLY SOLUBLE
BRN:1753684
CAS DataBase Reference:30414-53-0(CAS DataBase Reference)
NIST Chemistry Reference:30414-53-0(NIST)
Synonyms of Methyl 3-oxovalerate(30414-53-0):
PROPIONYLACETIC ACID METHYL ESTER;PEM;MOP;3-oxo-methylvalerate;Methy3-oxo-valerate;Methyl 3-oxo-n-valerate;Methyl beta-ketovalerate;methyl3-0xopentanoate
Categories of Methyl 3-oxovalerate(30414-53-0):straight chain compounds

Methyl 3-oxovalerate Uses

Methyl 3-oxovalerate(30414-53-0) is used as a pharmaceutical intermediate.

Methyl 3-oxovalerate Safety Profile

Safety Information of Methyl 3-oxovalerate(30414-53-0):
Hazard Codes:F  ,Xi  
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin 
Safety Statements:24/25-36-26
24/25:Avoid contact with skin and eyes
36:Wear suitable protective clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice     
WGK Germany:3
Hazard Note:Flammable
HS Code:29183000

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