Methyl 3-oxovalerate supplier

Name
Methyl 3-oxovalerate
EINECS 250-184-3
CAS No. 30414-53-0
Article Data32
CAS DataBase
Density 1.015 g/cm³
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
Appearance clear colorless to slightly yellow liquid
Safety 24/25-36-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols F, Xi
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;
PSA 43.37000
LogP 0.52860

Synthetic route

: 105-45-3
acetoacetic acid methyl ester

: 74-88-4
methyl iodide

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
Heating;	87%

: 24342-04-9
methyl pent-2-ynoate

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With calcium hydroxide In dichloromethane; ammonia; butanone	71%

: 10467-10-4
ethylmagnesium iodide

: 105-34-0
methyl 2-cyanoacetate

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
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

Conditions	Yield
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%

: 186581-53-3, 908094-01-9
diazomethane

: 10191-25-0
3-oxo-valeric acid

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
With diethyl ether

: 20577-62-2
methyl 2,4-dioxohexanoate

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
With glass powder at 240℃;
Destillation ueber Glaspulver;

: 883528-73-2
3-amino-4-methyl crotonic acid methylester

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
With hydrogenchloride

: 17448-81-6
ethyl 2-acetyl-3-oxopentanoate

: 124-41-4
sodium methylate

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
In methanol

: 186581-53-3, 908094-01-9
diazomethane

: C6H6N2O5(2-)*2Br(1-)*2Mg(2+)

: 78-93-3
butanone

A: 17094-21-2
2-methyl-acetoacetic acid methyl ester

B: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
1.) DMF, 110 deg C, 3 h, 2.) ether; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 7647-01-0
hydrogenchloride

: 883528-73-2
3-amino-4-methyl crotonic acid methylester

: 30414-53-0
methyl propanoyl acetate

acetoacetic acid methyl ester magnesium enolate: acetoacetic acid methyl ester magnesium enolate

: 79-03-8
propionyl chloride

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
With hydrogenchloride; ammonia In tetrahydrofuran

: 10191-25-0
3-oxo-valeric acid

: 30414-53-0
methyl propanoyl acetate

: 38330-80-2
monomethyl monopotassium malonate

: 802294-64-0
propionic acid

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
With 1,1'-carbonyldiimidazole; magnesium chloride In tetrahydrofuran

: 56009-31-5
3-hydroxy valeric acid methyl ester

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
With Candida parapsilosis carbonyl reductase 2 WT; nicotinamide adenine dinucleotide In aq. buffer pH=8; Kinetics; Reagent/catalyst; Enzymatic reaction;

: 66696-76-2
5-(1-hydroxypropylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

: 30414-53-0
methyl propanoyl acetate

Conditions

Conditions	Yield
In ethanol for 3h; Reflux;

: 30414-53-0
methyl propanoyl acetate

: 42558-50-9, 56009-31-5, 60793-22-8, 133098-13-2
methyl (3R)-3-hydroxypentanoate

Conditions

Conditions	Yield
With cat; hydrogen In methanol; dichloromethane at 25℃; under 77572.2 Torr; for 48h;	100%
With [(R)-BINAP]RuBr2; hydrogen In methanol at 40℃; under 15200 Torr; for 16h;	100%
With (S)-4,12-bis(diphenylphosphino)-<2.2>paracyclophane-Ru(II)bis(trifluoroacetate); hydrogen; tetra-(n-butyl)ammonium iodide In methanol; water at -5℃; under 2585.7 Torr; for 18h;	100%

: 30414-53-0
methyl propanoyl acetate

: 42558-50-9
methyl (S)-3-hydroxyvalerate

Conditions

Conditions	Yield
With cat; hydrogen In methanol; dichloromethane at 25℃; under 77572.2 Torr; for 48h;	100%
With (S)-BinapRuBr2; hydrogen In methanol at 40℃; under 15200 Torr; for 16h;	100%
With baker's yeast In various solvent(s) at 20℃; for 24h;	100%

: 30414-53-0
methyl propanoyl acetate

benzyl halide: benzyl halide

: 210691-47-7
methyl 2-benzyl-3-oxo-pentanoate

Conditions

Conditions	Yield
Stage #1: methyl propanoyl acetate With sodium hydride In tetrahydrofuran; mineral oil at 0 - 25℃; for 1h; Inert atmosphere; Stage #2: benzyl halide In tetrahydrofuran; mineral oil at 0℃;	100%
With potassium carbonate In tetrahydrofuran Heating;
Stage #1: methyl propanoyl acetate With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 1h; Inert atmosphere; Stage #2: benzyl halide In tetrahydrofuran; mineral oil Inert atmosphere;

: 2916-68-9
2-(Trimethylsilyl)ethanol

: 30414-53-0
methyl propanoyl acetate

: 215120-12-0
trimethylsilyl 3-oxovaleric ester

Conditions

Conditions	Yield
With dmap In toluene Heating / reflux;	100%

: 41340-36-7
7-ethyl-2-(1H-indol-3-yl)ethan-1-ol

: 30414-53-0
methyl propanoyl acetate

: methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)-indole-1-acetate

Conditions

Conditions	Yield
With chloro-trimethyl-silane In methanol at 20℃; for 22h; Reagent/catalyst; Temperature;	99.9%
With sulfuric acid In methanol at 0 - 30℃; Reagent/catalyst; Pictet-Spengler Synthesis;	98%

: 30414-53-0
methyl propanoyl acetate

: 3-ethylisoxazol-5(4H)-one

Conditions

Conditions	Yield
Stage #1: methyl propanoyl acetate With hydroxylamine hydrochloride; sodium acetate In ethanol Reflux; Stage #2: With hydrogenchloride In ethanol; water Reflux;	99%

: 30414-53-0
methyl propanoyl acetate

: 100-34-5
benzene diazonium chloride

: 112031-44-4
methyl 2,3-dioxopentanoate 2-phenylhydrazone

Conditions

Conditions	Yield
	98%

: 30414-53-0
methyl propanoyl acetate

: 17356-08-0
thiourea

: 552-89-6
2-nitro-benzaldehyde

: C14H15N2O2SNO2

Conditions

Conditions	Yield
With Ni loaded silica In ethanol at 20℃; for 1.5h;	98%
With boric acid; acetic acid at 100℃; for 7h; Biginelli reaction;	23.59%

...Expand

: 30414-53-0
methyl propanoyl acetate

: 105983-77-5
methyl 4-bromo-3-oxopentanoate

Conditions

Conditions	Yield
With bromine In dichloromethane at 5℃;	98%
With bromine; sodium carbonate In chloroform	78%
With bromine In chloroform at 0 - 20℃;	78%

Ru2 Cl4 ((+)-(T)BINAP)2 Et3 N: Ru2 Cl4 ((+)-(T)BINAP)2 Et3 N

: 30414-53-0
methyl propanoyl acetate

: 42558-50-9, 56009-31-5, 60793-22-8, 133098-13-2
methyl (3R)-3-hydroxypentanoate

Conditions

Conditions	Yield
In methanol; dichloromethane; nitrogen	98%

: 30414-53-0
methyl propanoyl acetate

: 17356-08-0
thiourea

: 613-45-6
2,4-Dimethoxybenzaldehyde

: 1373955-95-3
6-ethyl-4-(2,4-dimethoxyphenyl)-5-(methoxycarbonyl)-3,4-dihydropyrimidin-2(1H)-thione

Conditions

Conditions	Yield
With Ni loaded silica In ethanol at 20℃; for 1.5h;	98%

...Expand

: 30414-53-0
methyl propanoyl acetate

: 3952-66-7
methyl 2-oxobutanoate

Conditions

Conditions	Yield
With aluminum (III) chloride; Oxone In water at 20℃; for 0.166667h;	98%

: 30414-53-0
methyl propanoyl acetate

: 1493-27-2
ortho-nitrofluorobenzene

: methyl 2-(2-nitrophenyl)-3-oxopentanoate

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 20℃; for 92h; Inert atmosphere;	98%

: 30414-53-0
methyl propanoyl acetate

: 17758-33-7
3-methyl-5-nitro-4(3H)-pyrimidinone

: methyl 4-amino-5-methylnicotinate

Conditions

Conditions	Yield
With ammonium acetate In methanol for 72h; Heating;	97%

: 5153-67-3
nitrostyrene

: 30414-53-0
methyl propanoyl acetate

: methyl 2-(2-nitro-1-phenylethyl)-3-oxopentanoate

Conditions

Conditions	Yield
[(S,S)-N-(pentamethylbenzenesulfonyl)-1,2-diphenylethylenediamine] (hexamethylbenzene)ruthenium at -20℃; for 48h; Michael Condensation;	97%
With C28H33N5O2 In dichloromethane at 20℃; Michael condensation; enantioselective reaction;	90%
With N21,N23-bis(4-bromobenzyl)-2-(((2-(pyridin-3-yl)ethyl)amino)methyl)-5,10,15,20-tetrakis(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dienylidene)porphyrinogen In ethanol at 20℃; for 16h; Michael Addition; Inert atmosphere;	87%

: 30414-53-0
methyl propanoyl acetate

: 23326-27-4
Methyl 2-butynoate

: 107941-27-5
methyl 6-ethyl-4-methyl-2-oxo-2H-pyran-5-carboxylate

Conditions

Conditions	Yield
With sodium methylate at 100℃; for 3h;	96%
With sodium methylate	96%

: 30414-53-0
methyl propanoyl acetate

: 4346-59-2
para-methoxyphenyldiazonium chloride

: methyl 2-(p-methoxyphenylhydrazone)-3-oxopentanoate

Conditions

Conditions	Yield
With sodium acetate In ethanol Ambient temperature;	96%

: 30414-53-0
methyl propanoyl acetate

: 74-88-4
methyl iodide

: 17422-12-7
methyl 2-methyl-3-oxopentanoate

Conditions

Conditions	Yield
With potassium carbonate In acetone for 12h; Inert atmosphere; Reflux;	96%
Stage #1: methyl propanoyl acetate With potassium carbonate In acetone for 0.0833333h; Stage #2: methyl iodide In [(2)H6]acetone for 12h; Reflux;	94%
Stage #1: methyl propanoyl acetate With potassium carbonate In tetrahydrofuran for 3h; Heating; Stage #2: methyl iodide In tetrahydrofuran cooling;	92%

: 30414-53-0
methyl propanoyl acetate

: 95-54-5
1,2-diamino-benzene

: 1848-84-6
2-ethylbenzimidazole

Conditions

Conditions	Yield
With silica gel; zinc(II) chloride for 0.00555556h; microwave irradiation;	96%

: 30414-53-0
methyl propanoyl acetate

: 114192-09-5
methyl 2-chloro-3-oxopentanoate

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane at 0 - 25℃; for 16h;	96%
With sulfuryl dichloride In toluene	131.6 g (0.8 mol; yield: 100%)
With sulfuryl dichloride In toluene	131.6 g (0.8 mol; yield: 100%)
With sulfuryl dichloride In dichloromethane at 23℃; for 2h;
With sulfuryl dichloride In dichloromethane at 20℃; for 4h; Cooling with ice;	6 g

: 621-59-0
isovanillin

: 30414-53-0
methyl propanoyl acetate

: 17356-08-0
thiourea

: 1373955-96-4
6-ethyl-4-(3-hydroxy-4-methoxyphenyl)-5-(methoxycarbonyl)-3,4-dihydro-pyrimidin-2(1H)-thione

Conditions

Conditions	Yield
With Ni loaded silica In ethanol at 20℃; for 1.5h;	96%

...Expand

: 30414-53-0
methyl propanoyl acetate

: 100-46-9
benzylamine

: methyl 3-(phenylmethyl)amino-2-pentenoate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 3h; Heating;	95.7%

: 30414-53-0
methyl propanoyl acetate

: 10191-25-0
3-oxo-valeric acid

Conditions

Conditions	Yield
With sodium hydroxide at 25℃; for 24h;	95%
Stage #1: methyl propanoyl acetate With sodium hydroxide at 25℃; for 24h; Stage #2: With hydrogenchloride In water pH=2;	95%
With sodium hydroxide; water	67%

: 30414-53-0
methyl propanoyl acetate

: 99-61-6
3-nitro-benzaldehyde

: 40035-23-2
2,6-Diethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
With C23H3BF16N2O; ammonium acetate In toluene at 100℃; for 10h; Hantzsch Dihydropyridine Synthesis;	95%
With ammonium hydroxide In methanol for 4h; Heating;	59%

: 30414-53-0
methyl propanoyl acetate

: benzyl 2,3-anhydro-4-O-methoxymethyl-β-L-ribopyranoside

: phenylmethyl 3-deoxy-4-O-(methoxymethyl)-3-(4-methoxy-1-methyl-2,4-dioxobutyl)-β-L-xylopyranoside

Conditions

Conditions	Yield
Stage #1: methyl propanoyl acetate With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.75h; Inert atmosphere; Stage #2: With n-butyllithium In tetrahydrofuran; hexane; mineral oil at 0℃; for 0.666667h; Inert atmosphere; Stage #3: benzyl 2,3-anhydro-4-O-methoxymethyl-β-L-ribopyranoside In tetrahydrofuran; hexane; mineral oil at 0 - 20℃; Inert atmosphere; regioselective reaction;	95%
With n-butyllithium; sodium hydride In tetrahydrofuran at 0 - 25℃; for 12h;

Yield

Stage #1: methyl propanoyl acetate With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.75h; Inert atmosphere;
Stage #2: With n-butyllithium In tetrahydrofuran; hexane; mineral oil at 0℃; for 0.666667h; Inert atmosphere;
Stage #3: benzyl 2,3-anhydro-4-O-methoxymethyl-β-L-ribopyranoside In tetrahydrofuran; hexane; mineral oil at 0 - 20℃; Inert atmosphere; regioselective reaction;

95%

With n-butyllithium; sodium hydride In tetrahydrofuran at 0 - 25℃; for 12h;

: 30414-53-0
methyl propanoyl acetate

: 100-52-7
benzaldehyde

: 57-13-6
urea

: methyl 6-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions

Conditions	Yield
indium(III) chloride In tetrahydrofuran for 6h; Condensation; cyclization; Heating;	95%
With boron trifluoride diethyl etherate; acetic acid; copper(l) chloride In tetrahydrofuran at 65℃;	81%
With sulfuric acid; copper(l) chloride In methanol Biginelli Pyrimidone Synthesis; Reflux; Inert atmosphere;	71%
With hydrogenchloride In ethanol Biginelli reaction; Heating;	13.5%

...Expand

: 455-19-6
4-Trifluoromethylbenzaldehyde

: 30414-53-0
methyl propanoyl acetate

: C20H22F3NO4

Conditions

Conditions	Yield
With C23H3BF16N2O; ammonium acetate In toluene at 100℃; for 10h; Hantzsch Dihydropyridine Synthesis;	95%

: 67-56-1
methanol

: 30414-53-0
methyl propanoyl acetate

: 28144-70-9
anthranilic acid amide

: Methyl 2-(2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)acetate

Conditions

Conditions	Yield
Stage #1: methanol; methyl propanoyl acetate; anthranilic acid amide With Candida antarctica lipase B at 60℃; for 60h; Enzymatic reaction; Stage #2: With α-chymotrypsin at 60℃; for 40h; Enzymatic reaction;	95%

...Expand

: 30414-53-0
methyl propanoyl acetate

: 7-methoxy-8-formyl-2,3-dimethylchromone

: 57-13-6
urea

: methyl-6-ethyl-4-(7‑methoxy-2,3-dimethyl-4-oxo-4H-chromen-8-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Conditions

Conditions	Yield
With hydrogenchloride; iron(III) chloride hexahydrate In ethanol for 2h; Biginelli Pyrimidone Synthesis; Reflux;	95%

...Expand

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

Product Name

Methyl 3-oxovalerate

Synthetic route

Methyl 3-oxovalerate Chemical Properties

Methyl 3-oxovalerate Uses

Methyl 3-oxovalerate Safety Profile

Related Products

Hot Products