Ethyl 2-methylbutyrate supplier

Name
Ethyl 2-methylbutyrate
EINECS 231-225-4
CAS No. 7452-79-1
Article Data33
CAS DataBase
Density 0.879 g/cm³
Solubility 600mg/L at 20℃
Melting Point -93.23°C (estimate)
Formula C₇H₁₄O₂
Boiling Point 135.1 °C at 760 mmHg
Molecular Weight 130.187
Flash Point 33.4 °C
Transport Information UN 3272 3/PG 3
Appearance clear colorless liquid
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols R10:;
Synonyms Butyricacid, 2-methyl-, ethyl ester (6CI,7CI,8CI);2-Methylbutyric acid ethyl ester;Ethyl 2-methylbutanoate;Ethyl a-methylbutyrate;NSC 1103;
PSA 26.30000
LogP 1.59560

Synthetic route

: 5837-78-5
Ethyl tiglate

: 7452-79-1
ethyl 2-methylbutyrate

Conditions

Conditions	Yield
With 10% Pd/C; hydrogen In methanol under 1500.15 Torr; Inert atmosphere;	100%
With methanol; sodium tetrahydroborate; meso-tetraphenylporphyrin iron(III) chloride In tetrahydrofuran at 30℃; for 2h;

: ethyl 2-methyl-2-butenoate

: 7452-79-1
ethyl 2-methylbutyrate

Conditions

Conditions	Yield
With C40H56N2RuSi4; hydrogen In toluene at 25℃; under 760.051 Torr; for 6h; Schlenk technique;	99%
With ethanol; (BQ‑NCOP)IrHCl; sodium t-butanolate at 60℃; for 12h; Inert atmosphere; Schlenk technique; Sealed tube; chemoselective reaction;	> 99 %Chromat.

: 119770-04-6
ethyl α-methyl-γ-(vinylsulfonyl)butyrate

: 7452-79-1
ethyl 2-methylbutyrate

Conditions

Conditions	Yield
With aluminium amalgam In tetrahydrofuran; water for 10h; Ambient temperature;	60%

: 116-53-0, 600-07-7
2-Methylbutanoic acid

: 64-17-5
ethanol

: 7452-79-1
ethyl 2-methylbutyrate

Conditions

Conditions	Yield
With sulfuric acid; toluene unter Entfernen des entstehenden Wassers;
With sulfuric acid at 80℃; for 2h; Product distribution / selectivity;

: 80163-58-2
(+/-)-ethyl ethylmethylmalonate

: 7452-79-1
ethyl 2-methylbutyrate

Conditions

Conditions	Yield
at 170℃;

: 42274-17-9, 80163-58-2, 80226-12-6, 103302-97-2
(+)-ethyl ethylmethylmalonate

: 7452-79-1
ethyl 2-methylbutyrate

Conditions

Conditions	Yield
at 170℃;

: 64-17-5
ethanol

: 108-12-3
isopentanoyl chloride

: 7452-79-1
ethyl 2-methylbutyrate

: 20521-48-6
2-Chlor-2-methyl-butin-(3)-saeure-aethylester

: 7452-79-1
ethyl 2-methylbutyrate

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol

: 16509-44-7
ethyl (Z)-2-methyl-2-butenoate

: 7452-79-1
ethyl 2-methylbutyrate

Conditions

Conditions	Yield
With sodium hydrogen telluride In ethanol for 2h; Ambient temperature;	9 % Spectr.
With sodium hydrogen telluride In ethanol for 2h; Product distribution; Ambient temperature; other reagent;	9 % Spectr.

: 16509-44-7
ethyl (Z)-2-methyl-2-butenoate

A: 7452-79-1
ethyl 2-methylbutyrate

B: 5837-78-5
Ethyl tiglate

C: 3070-65-3
ethyl 2-methylenebutyrate

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 20℃; for 0.0833333h; Product distribution; the formed intermediates are separated with gas chromatography and detected with 1H-NMR-spectroscopy after several times;	A 47.9 % Chromat. B 50.7 % Chromat. C 0.2 % Chromat.

...Expand

: 5837-78-5
Ethyl tiglate

A: 7452-79-1
ethyl 2-methylbutyrate

B: 16509-44-7
ethyl (Z)-2-methyl-2-butenoate

C: 3070-65-3
ethyl 2-methylenebutyrate

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 20℃; for 0.0833333h; Product distribution; the formed intermediates are separated with gas chromatography and detected with 1H-NMR-spectroscopy after several times;	A 42.7 % Chromat. B 1.27 % Chromat. C 0.4 % Chromat.

...Expand

: 5837-78-5
Ethyl tiglate

A: 7452-79-1
ethyl 2-methylbutyrate

B: Ethyl 2-methyl<α-(2)H>butyrate

Conditions

Conditions	Yield
With sodium tetrahydroborate; d(4)-methanol; meso-tetraphenylporphyrin iron(III) chloride In tetrahydrofuran at 30℃; for 1h;

: 3070-65-3
ethyl 2-methylenebutyrate

A: 7452-79-1
ethyl 2-methylbutyrate

B: 16509-44-7
ethyl (Z)-2-methyl-2-butenoate

C: 5837-78-5
Ethyl tiglate

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 20℃; for 0.0833333h; Product distribution; the formed intermediates are separated with gas chromatography and detected with 1H-NMR-spectroscopy after several times;	A 48.7 % Chromat. B 1.1 % Chromat. C 49.7 % Chromat.

...Expand

: 14924-53-9
ethyl cyclobutylcarboxylate

A: 7452-79-1
ethyl 2-methylbutyrate

B: 539-82-2
ethyl n-valerate

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal at 150℃; under 147102 Torr; Product distribution; the formed products are detected with gas chromatography;	A 0.7 % Chromat. B 0.3 % Chromat.

: 71441-76-4
1-methylcyclopropanecarboxylic acid ethyl ester

A: 7452-79-1
ethyl 2-methylbutyrate

B: 3938-95-2
2,2-dimethyl-propanoic acid ethyl ester

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 100℃; under 117681 Torr; for 48h; Product distribution; the formed products are detected with gas chromatography;	A 72 % Chromat. B 28 % Chromat.

: 20913-25-1
2-Methylcyclopropancarbonsaeureethylester

A: 7452-79-1
ethyl 2-methylbutyrate

B: 108-64-5
Ethyl isovalerate

C: 539-82-2
ethyl n-valerate

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal at 100℃; under 110326 Torr; for 1.2h; Product distribution; the formed products are detected with gas chromatography;	A 2 % Chromat. B 25 % Chromat. C 12 % Chromat.

...Expand

: 29820-55-1
Bicyclo<1.1.0>butan-1-carbonsaeure-ethylester

A: 7452-79-1
ethyl 2-methylbutyrate

B: 16509-44-7
ethyl (Z)-2-methyl-2-butenoate

C: 5837-78-5
Ethyl tiglate

D: 3070-65-3
ethyl 2-methylenebutyrate

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 20℃; for 0.133333h; Product distribution; the formed intermediates are separated with gas chromatography and detected with 1H-NMR-spectroscopy after several times;	A 21 % Chromat. B 5 % Chromat. C 32 % Chromat. D 19 % Chromat.

...Expand

: 29820-55-1
Bicyclo<1.1.0>butan-1-carbonsaeure-ethylester

A: 7452-79-1
ethyl 2-methylbutyrate

B: 539-82-2
ethyl n-valerate

C: 14924-53-9
ethyl cyclobutylcarboxylate

D: 71441-76-4
1-methylcyclopropanecarboxylic acid ethyl ester

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 20℃; for 0.416667h; Product distribution; the formed products are detected with gas chromatography;	A 99.1 % Chromat. B 0.2 % Chromat. C 0.4 % Chromat. D 0.3 % Chromat.

...Expand

: 29820-54-0
exo-Bicyclo<1.1.0>butan-2-carbonsaeure-ethylester

A: 7452-79-1
ethyl 2-methylbutyrate

B: 539-82-2
ethyl n-valerate

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol at 20℃; for 0.416667h; Product distribution; the formed products are detected with gas chromatography;	A 95 % Chromat. B 5 % Chromat.

: 16764-71-9, 20913-25-1, 56711-68-3, 56711-69-4, 71666-07-4
trans-2-Methylcyclopropancarbonsaeureethylester

A: 7452-79-1
ethyl 2-methylbutyrate

B: 108-64-5
Ethyl isovalerate

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal at 100℃; under 110326 Torr; for 72h; Product distribution; the formed products are detected with gas chromatography;	A 15 % Chromat. B 85 % Chromat.

: 2,2,6-trimethyl-2-sila-3-octyn-5-one

A: 116-53-0, 600-07-7
2-Methylbutanoic acid

B: 21024-17-9
(+)-S-3-sec-butylisoxazole

C: 7452-79-1
ethyl 2-methylbutyrate

D: 3-((R)-sec-Butyl)-isoxazole

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium carbonate In ethanol for 15h; Product distribution; Heating; reaction at var. pH, racemization;

...Expand

: (2S,3R)-2-Ethyl-3-hydroxy-2-methyl-3-phenyl-butyric acid ethyl ester

A: 7452-79-1
ethyl 2-methylbutyrate

B: 98-86-2
acetophenone

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 170℃; Rate constant;

: (2R,3R)-2-Ethyl-3-hydroxy-2-methyl-3-phenyl-butyric acid ethyl ester

A: 7452-79-1
ethyl 2-methylbutyrate

B: 98-86-2
acetophenone

Conditions

Conditions	Yield
In diethylene glycol dimethyl ether at 170℃; Rate constant;

: 133-13-1
ethyl diethyl malonate

BaO: BaO

copper chromite: copper chromite

A: 137-32-6
(+/-)-2-methyl-1-butanol

B: 7452-79-1
ethyl 2-methylbutyrate

Conditions

Conditions	Yield
at 250℃; unter Druck je nach den Bedingungen.Hydrogenation;

...Expand

: 133-13-1
ethyl diethyl malonate

BaO: BaO

copper chromite: copper chromite

A: 67-56-1
methanol

B: 137-32-6
(+/-)-2-methyl-1-butanol

C: 7452-79-1
ethyl 2-methylbutyrate

D: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
at 250℃; unter Druck je nach den Bedingungen.Hydrogenation;

...Expand

: 106-98-9
1-butylene

: 64-17-5
ethanol

: 64-19-7
acetic acid

Ni(CO)4: Ni(CO)4

A: 7452-79-1
ethyl 2-methylbutyrate

B: 539-82-2
ethyl n-valerate

Conditions

Conditions	Yield
at 160 - 170℃;
at 160 - 170℃;

...Expand

: 7647-01-0
hydrogenchloride

: 40568-43-2
5-methyl-heptane-2,4-dione

A: 7452-79-1
ethyl 2-methylbutyrate

B: 141-78-6
ethyl acetate

C: 67-64-1
acetone

D: 565-61-7, 55156-16-6
3-methyl-pentan-2-one

Conditions

Conditions	Yield
at 60℃;

...Expand

: 541-41-3
chloroformic acid ethyl ester

(+-)-sec-butyl magnesium bromide: (+-)-sec-butyl magnesium bromide

: 7452-79-1
ethyl 2-methylbutyrate

: 857781-27-2
2-methyl-2-ethyl-3-hydroxybutyric acid, ethyl ester

Al2O3: Al2O3

: 7452-79-1
ethyl 2-methylbutyrate

Conditions

Conditions	Yield
at 315℃;

: 7452-79-1
ethyl 2-methylbutyrate

: 201230-82-2
carbon monoxide

: 63509-96-6
2,6-xylyllithium

A: 91873-92-6
1-(2,6-Dimethyl-phenyl)-3-methyl-pentane-1,2-dione

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
In tetrahydrofuran; Dimethyl ether at -135℃;	A 84% B 13%

...Expand

: 7452-79-1
ethyl 2-methylbutyrate

: 201230-82-2
carbon monoxide

: 63509-96-6
2,6-xylyllithium

: 91873-92-6
1-(2,6-Dimethyl-phenyl)-3-methyl-pentane-1,2-dione

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether; pentane at -135 - 25℃;	84%

...Expand

: 7452-79-1
ethyl 2-methylbutyrate

: 34837-55-3
Phenylselenyl bromide

: 308335-56-0
ethyl 2-methyl-2-phenylselanylbutanoate

Conditions

Conditions	Yield
With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.25h; selenenylation;	72%

: 7452-79-1
ethyl 2-methylbutyrate

: 41148-79-2
(S)-N-acetyl-L-aspartic anhydride

: 1233390-42-5
(S)-5-carboxymethyl-3-ethyl-3-methyltetramic acid

Conditions

Conditions	Yield
Stage #1: ethyl 2-methylbutyrate With lithium diisopropyl amide In tetrahydrofuran; hexane; ethylbenzene at -78℃; for 0.75h; Inert atmosphere; Stage #2: (S)-N-acetyl-L-aspartic anhydride In tetrahydrofuran; hexane; ethylbenzene at -78 - 20℃; for 3.16667h; Inert atmosphere; optical yield given as %de; stereoselective reaction;	70%

: 7452-79-1
ethyl 2-methylbutyrate

: 83756-21-2
1-(3-bromopropyl)-2,5-dimethyl-1H-pyrrole

: 3-ethyl-3-methylpiperidin-2-one

Conditions

Conditions	Yield
Stage #1: ethyl 2-methylbutyrate With n-butyllithium; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; hexane at -60 - -50℃; Inert atmosphere; Stage #2: 1-(3-bromopropyl)-2,5-dimethyl-1H-pyrrole In tetrahydrofuran; hexane at -50 - 20℃; for 2h; Stage #3: With hydroxylamine hydrochloride; potassium hydroxide In ethanol; water Reflux; Inert atmosphere;	69%

: 7452-79-1
ethyl 2-methylbutyrate

: 109-94-4
formic acid ethyl ester

: 188026-75-7
ethyl-2-formyl-2-methylbutanoate

Conditions

Conditions	Yield
Stage #1: ethyl 2-methylbutyrate With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere; Stage #2: formic acid ethyl ester In tetrahydrofuran at -78 - 25℃; for 2.5h; Inert atmosphere;	58%
With lithium diisopropyl amide In tetrahydrofuran at -78℃;

: 7452-79-1
ethyl 2-methylbutyrate

: 580-13-2
2-bromonaphthalene

: ethyl α-methyl-α-(naphthalen-2-yl)butyrate

Conditions

Conditions	Yield
With palladium diacetate; lithium hexamethyldisilazane; 2-N,N-(dimethylamino)-2'-di-tert-butylphosphino-1,1'-binaphthyl In toluene at 40℃; for 17h;	54%

: 6096-36-2
1-benzyl-2-methyl-4,5-dihydro-1H-imidazole

: 7452-79-1
ethyl 2-methylbutyrate

: 1-benzyl-2-(2-hydroxy-3-methylpent-1-enyl)-4,5-dihydroimidazole

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane 1.) -78 deg C, 1 h, 2.) 20 deg C, overnight;	51%

: 7452-79-1
ethyl 2-methylbutyrate

: 106-38-7
para-bromotoluene

: ethyl α-methyl-α-(4-methylphenyl)butyrate

Conditions

Conditions	Yield
With palladium diacetate; lithium hexamethyldisilazane; 2-N,N-(dimethylamino)-2'-di-tert-butylphosphino-1,1'-binaphthyl In toluene at 80℃; for 0.5h;	48%

: 7452-79-1
ethyl 2-methylbutyrate

: 5398-71-0
2-bromo-2-ethyl-2-methyl acetic acid ethyl ester

Conditions

Conditions	Yield
Stage #1: ethyl 2-methylbutyrate With bromine; phosphorus tribromide at 75℃; Stage #2: With ethanol for 1h; Reflux;	33%

: 7452-79-1
ethyl 2-methylbutyrate

: 1-(imino(4-methylpiperazin-1-yl)methyl)guanidine dihydrochloride

: 4-sec-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

Conditions

Conditions	Yield
With sodium methylate at 70℃; Microwave irradiation;	17%

: 7452-79-1
ethyl 2-methylbutyrate

: 137-32-6
(+/-)-2-methyl-1-butanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 6h;

: 7452-79-1
ethyl 2-methylbutyrate

: 62759-47-1
5-hydroxy-3,6-dimethyl-octan-4-one

Conditions

Conditions	Yield
With diethyl ether; sodium

: 7452-79-1
ethyl 2-methylbutyrate

: 81923-96-8
ethyl α-methyl-α-ethylvalerate

Conditions

Conditions	Yield
With diethyl ether; triphenylmethyl sodium Einw. von Propyljodid auf das Reaktionsprodukt;

: 7452-79-1
ethyl 2-methylbutyrate

: 855843-36-6
diethyl 2-ethyl-2-methyl-3-oxobutanedioate

Conditions

Conditions	Yield
With diethyl ether; triphenylmethyl sodium Anschliessend Behandeln mit Oxalsaeure-diaethylester.;

: 7452-79-1
ethyl 2-methylbutyrate

: 4303-71-3
triphenylmethyl sodium

: 2-benzyl-2-methyl-butyric acid ethyl ester

Conditions

Conditions	Yield
With diethyl ether anschliessendes Behandeln mit Benzylbromid;

: 7452-79-1
ethyl 2-methylbutyrate

: 25491-44-5
2-benzoyl-2-methyl-butyric acid ethyl ester

Conditions

Conditions	Yield
With diethyl ether; triphenylmethyl sodium anschliessend Behandeln mit Benzoylchlorid;

: 7452-79-1
ethyl 2-methylbutyrate

: 20092-99-3
2-methyl-2-[2]pyridyl-butyric acid ethyl ester

Conditions

Conditions	Yield
With diethyl ether; triphenylmethyl sodium Erhitzen des Reaktionsgemisches mit 2-Brom-pyridin in Decalin auf 180grad; (+-)-2-methyl-2-<2>pyridyl-butyric acid ethyl ester;

: 7452-79-1
ethyl 2-methylbutyrate

: 107-08-4
1-iodo-propane

: 81923-96-8
ethyl α-methyl-α-ethylvalerate

Conditions

Conditions	Yield
With 1,4-dioxane; sodium hydride
With sodium hydride In 1,4-dioxane

: 7452-79-1
ethyl 2-methylbutyrate

: 108-12-3
isopentanoyl chloride

: 2-ethyl-2,5-dimethyl-3-oxo-hexanoic acid ethyl ester

Conditions

Conditions	Yield
With diethyl ether; triphenylmethyl sodium

Ethyl 2-methylbutyrate Specification

The Ethyl 2-methylbutyrate is an organic compound with the formula C₇H₁₄O₂. The IUPAC name of this chemical is ethyl 2-methylbutanoate. With the CAS registry number 7452-79-1, it is also named as Butyric acid, 2-methyl-, ethyl ester (8CI). The product's categories are Pharmaceutical Intermediates; Organics; C6 to C7; Carbonyl Compounds; Esters; Alphabetical Listings; E-F; Flavors and Fragrances; Certified Natural Products Flavors and Fragrances. Besides, it is a clear colorless liquid, which should be stored in cool and dry place. It can be used as food additives.

Physical properties about Ethyl 2-methylbutyrate are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 2.12; (4)ACD/BCF (pH 5.5): 23.99; (5)ACD/BCF (pH 7.4): 23.99; (6)ACD/KOC (pH 5.5): 338.4; (7)ACD/KOC (pH 7.4): 338.4; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.404; (12)Molar Refractivity: 36.21 cm³; (13)Molar Volume: 147.9 cm³; (14)Polarizability: 14.35×10^-24cm³; (15)Surface Tension: 25.5 dyne/cm; (16)Density: 0.879 g/cm³; (17)Flash Point: 33.4 °C; (18)Enthalpy of Vaporization: 37.25 kJ/mol; (19)Boiling Point: 135.1 °C at 760 mmHg; (20)Vapour Pressure: 7.85 mmHg at 25°C.

Preparation: this chemical can be prepared by ethyl a-methyl-g-(vinylsulfonyl)butyrate. This reaction will need reagentalumiνm amalgam and solvent tetrahydrofuran. The reaction time is 10 hours at ambient temperature. The yield is about 60%.

Uses of Ethyl 2-methylbutyrate: it can be used to produce 2-methyl-2-naphthalen-2-yl-butyric acid ethyl ester at temperature of 40 °C. It will need reagent Pd(OAc)₂, LiHMDS, 2-P(t-Bu)₂-2'-NMe2-1,1'-naphthyl and solvent toluene with reaction time of 17 hours. The yield is about 54%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C)CC
(2)InChI: InChI=1/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
(3)InChIKey: HCRBXQFHJMCTLF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
(5)Std. InChIKey: HCRBXQFHJMCTLF-UHFFFAOYSA-N

Product Name

Ethyl 2-methylbutyrate

Synthetic route

Ethyl 2-methylbutyrate Specification

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