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| CAS No.: | 62054-49-3 |
|---|---|
| Name: | Ethyl 3-methyl-4-oxocrotonate |
| Molecular Structure: | |
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|
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| Formula: | C7H10O3 |
| Molecular Weight: | 142.155 |
| Synonyms: | Ethyl trans-3-methyl-4-oxo-2-butenoate;Ethyl trans-gamma-oxosenecioate;ethyl trans-γ-oxosenecioate;Ethyl trans-γ-oxosenecioate, Ethyl trans-3-methyl-4-oxo-2-butenoate; |
| EINECS: | 255-575-2 |
| Density: | 1.027 g/cm3 |
| Boiling Point: | 216.7 °C at 760 mmHg |
| Flash Point: | 87.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 23-24/25-36-26 |
| PSA: | 43.37000 |
| LogP: | 0.69470 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 65527-85-7
ethyl (E)-4-hydroxy-3-methyl-2-butenoate
- 62054-49-3
ethyl (E)-3-formyl-2-butenoate
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide In dichloromethane at 25℃; for 1h; | 92% |
| With manganese(IV) oxide In dichloromethane for 3h; Ambient temperature; | 79% |
| With manganese(IV) oxide; calcium sulfate In dichloromethane for 1h; Ambient temperature; | 72% |
- 83803-81-0
ethyl (E/Z)-4,4-dimethoxy-3-methylbut-2-enoate
- 62054-49-3
ethyl (E)-3-formyl-2-butenoate
| Conditions | Yield |
|---|---|
| With hydrogenchloride In dichloromethane for 1.5h; | 78% |
| With sulfuric acid In water | 70% |
| With hydrogenchloride In 1,4-dioxane for 4h; Ambient temperature; | 53% |
- 65527-84-6
(E)-4,4-Dimethoxy-3-methyl-crotonsaeureaethylester
- 62054-49-3
ethyl (E)-3-formyl-2-butenoate
| Conditions | Yield |
|---|---|
| With sodium acetate In water; acetic acid for 3.5h; Heating; | 69.8% |
| With hydrogenchloride In dichloromethane; water at 0℃; for 2h; Inert atmosphere; |
- 51318-62-8
ethyl (E)-4-bromo-3-methyl-2-butenoate
- 62054-49-3
ethyl (E)-3-formyl-2-butenoate
| Conditions | Yield |
|---|---|
| With sulfuric acid In water | 42% |
| Conditions | Yield |
|---|---|
| With dibutylamine |
- 97361-72-3
3-Methyl-4--crotonsaeureethylester
- 62054-49-3
ethyl (E)-3-formyl-2-butenoate
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 62054-49-3
ethyl (E)-3-formyl-2-butenoate
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide; Petroleum ether |
- 867-13-0
diethoxyphosphoryl-acetic acid ethyl ester
- 6342-56-9
Pyruvic aldehyde dimethyl acetal
- 62054-49-3
ethyl (E)-3-formyl-2-butenoate
| Conditions | Yield |
|---|---|
| Stage #1: diethoxyphosphoryl-acetic acid ethyl ester; Pyruvic aldehyde dimethyl acetal With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h; Stage #2: With hydrogenchloride; water In dichloromethane at 20℃; for 3h; |
- 638-10-8
ethyl 3-methylbut-2-enoate
- 62054-49-3
ethyl (E)-3-formyl-2-butenoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 90 percent / SeO2 / aq. ethanol / 24 h / Heating 2: 72 percent / CaSO4, MnO2 / CH2Cl2 / 1 h / Ambient temperature View Scheme | |
| Multi-step reaction with 2 steps 1: N-bromosuccinimide, d'acide m-chloroperbenzoique / CCl4 2: 42 percent / H2SO4 / H2O View Scheme | |
| Multi-step reaction with 3 steps 1: Br2 2: (i) Py, (ii) /BRN= 607293/, NaOH 3: aq. H2SO4 View Scheme |
- 344248-78-8
β,γ-epoxy-isovaleric acid ethyl ester
- 62054-49-3
ethyl (E)-3-formyl-2-butenoate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hexamethylphosphoric amide / 2 h / Ambient temperature 2: 79 percent / activated MnO2 / CH2Cl2 / 3 h / Ambient temperature View Scheme |
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Specification
The CAS register number of Ethyl 3-methyl-4-oxocrotonate is 62054-49-3. It also can be called as ethyl trans-γ-oxosenecioate and the systematic name about this chemical is ethyl (2E)-3-methyl-4-oxobut-2-enoate. The molecular formula about this chemical is C7H10O3 and the molecular weight is 142.15.
Physical properties about Ethyl 3-methyl-4-oxocrotonate are: (1)ACD/LogP: 0.55; (2)ACD/LogD (pH 5.5): 0.55; (3)ACD/LogD (pH 7.4): 0.55; (4)ACD/BCF (pH 5.5): 1.54; (5)ACD/BCF (pH 7.4): 1.54; (6)ACD/KOC (pH 5.5): 47.48; (7)ACD/KOC (pH 7.4): 47.48; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.438; (12)Molar Refractivity: 36.34 cm3; (13)Molar Volume: 138.2 cm3; (14)Polarizability: 14.4x10-24cm3; (15)Surface Tension: 31.5 dyne/cm; (16)Density: 1.027 g/cm3; (17)Flash Point: 87.4 °C; (18)Enthalpy of Vaporization: 45.3 kJ/mol; (19)Boiling Point: 216.7 °C at 760 mmHg; (20)Vapour Pressure: 0.138 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable protective clothing. When you are using it, do not breathe vapour and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C(=C\C(=O)OCC)C
(2)InChI: InChI=1/C7H10O3/c1-3-10-7(9)4-6(2)5-8/h4-5H,3H2,1-2H3/b6-4+
(3)InChIKey: YLFXEUMFBVGYEL-GQCTYLIABJ
(4)Std. InChI: InChI=1S/C7H10O3/c1-3-10-7(9)4-6(2)5-8/h4-5H,3H2,1-2H3/b6-4+
(5)Std. InChIKey: YLFXEUMFBVGYEL-GQCTYLIASA-N