- D-Ethyl 2-methylbutyrate
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Cas Database |
| Name |
D-Ethyl 2-methylbutyrate |
EINECS | N/A |
| CAS No. | 10307-61-6 | Density | 0.879g/cm3 |
| PSA | 26.30000 | LogP | 1.59560 |
| Solubility | N/A | Melting Point |
-93.23°C (estimate) |
| Formula | C7H14 O2 | Boiling Point | 135.1°C at 760 mmHg |
| Molecular Weight | 130.187 | Flash Point | 33.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Butanoicacid, 2-methyl-, ethyl ester, (S)-; Butyric acid, 2-methyl-, ethyl ester, (+)-(8CI); (+)-Ethyl 2-methylbutanoate; (+)-Ethyl 2-methylbutyrate; (S)-(+)-Ethyl2-methylbutanoate; (S)-2-Methylbutanoic acid ethyl ester; EthylS-(+)-2-methylbutyrate |
Article Data | 9 |
D-Ethyl 2-methylbutyrate Synthetic route
| Conditions | Yield |
|---|---|
| In dichloromethane at 0 - 20℃; for 11h; non-cross-linked polystyrene; | 80% |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 0℃; Inert atmosphere; Molecular sieve; Reflux; | 64% |
| With sulfuric acid In diethyl ether at 30℃; for 2.5h; |
- 1607-30-3
bis-((S)-2-methyl-butyryl)-peroxide
- 98-07-7
Benzotrichlorid
A
- 10307-61-6
ethyl (S)-(+)-2-methylbutanoate
B
- 869-08-9, 108056-48-0, 108056-49-1, 114531-94-1, 114531-96-3
(S)-2-methyl-butyric acid-((S)-sec-butyl ester)
| Conditions | Yield |
|---|---|
| at 80℃; |
- 5837-78-5
Ethyl tiglate
A
- 40917-00-8
ethyl (R)-2-methylbutanoate
B
- 10307-61-6
ethyl (S)-(+)-2-methylbutanoate
| Conditions | Yield |
|---|---|
| With hydrogen; N-heterocyclic carbene complex In dichloromethane at 25℃; under 15201 Torr; for 4h; Title compound not separated from byproducts.; |
- 80-59-1
Tiglic acid
- 10307-61-6
ethyl (S)-(+)-2-methylbutanoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sulfuric acid / 24 h / Reflux; Inert atmosphere 2: hydrogen; [(D)*Ir(1,4-cyclooctadiene)]+[tetrakis(3,5-bis(trifluoromethyl)phenyl)borate]- / dichloromethane / 15 h / 20 °C / 15001.5 Torr / Inert atmosphere View Scheme |
- 5837-78-5
Ethyl tiglate
- 10307-61-6
ethyl (S)-(+)-2-methylbutanoate
| Conditions | Yield |
|---|---|
| With [(D)*Ir(1,4-cyclooctadiene)]+[tetrakis(3,5-bis(trifluoromethyl)phenyl)borate]-; hydrogen In dichloromethane at 20℃; under 15001.5 Torr; for 15h; Inert atmosphere; enantioselective reaction; | n/a |
A
- 40917-00-8
ethyl (R)-2-methylbutanoate
B
- 10307-61-6
ethyl (S)-(+)-2-methylbutanoate
| Conditions | Yield |
|---|---|
| With C38H53IrN3O(1+)*C32H12BF24(1-); hydrogen In dichloromethane at 25℃; under 37503.8 Torr; for 16h; Reagent/catalyst; enantioselective reaction; | A n/a B n/a |
- 1565-80-6
(2S)-2-methyl-1-butanol
- 10307-61-6
ethyl (S)-(+)-2-methylbutanoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Jones reagent / acetone / 2 h / 0 - 20 °C 2: sulfuric acid / 0 °C / Inert atmosphere; Molecular sieve; Reflux View Scheme |
- 1730-91-2
(S)-2-Methylbutyric acid
- 10307-61-6
ethyl (S)-(+)-2-methylbutanoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3.5 h / 20 °C 2: potassium hydroxide / 4 h / 60 °C / Inert atmosphere View Scheme |
- 64-17-5
ethanol
A
- 10307-61-6
ethyl (S)-(+)-2-methylbutanoate
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 60℃; for 4h; Inert atmosphere; |
D-Ethyl 2-methylbutyrate Chemical Properties
Molecular Structure of D-Ethyl 2-methylbutyrate (CAS No.10307-61-6):
Molecular Formula: C7H14O2
Molecular Weight: 130.1849
CAS No: 10307-61-6
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.404
Molar Refractivity: 36.21 cm3
Molar Volume: 147.9 cm3
Surface Tension: 25.5 dyne/cm
Density: 0.879 g/cm3
Flash Point: 33.4 °C
Enthalpy of Vaporization: 37.25 kJ/mol
Boiling Point: 135.1 °C at 760 mmHg
Vapour Pressure: 7.85 mmHg at 25°C
InChI: InChI=1/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
InChIKey: HCRBXQFHJMCTLF-UHFFFAOYAD
Std. InChI: InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3
Std. InChIKey: HCRBXQFHJMCTLF-UHFFFAOYSA-N
Systematic Name: Ethyl 2-methylbutanoate
D-Ethyl 2-methylbutyrate Specification
D-Ethyl 2-methylbutyrate (CAS No.10307-61-6), its synonyms are (S)-Ethyl 2-methylbutanoate ; Butanoic acid, 2-methyl-, ethyl ester ; Ethyl 2-methylbutanoate ; Ethyl alpha-methylbutyrate ; 2-Methylbutanoic acid ethyl ester .
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