CAS No.62054-49-3,Ethyl 3-methyl-4-oxocrotonate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	62054-49-3
Name:	Ethyl 3-methyl-4-oxocrotonate
Article Data:	18

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

Synthetic route

: 65527-85-7
ethyl (E)-4-hydroxy-3-methyl-2-butenoate

: 62054-49-3
ethyl (E)-3-formyl-2-butenoate

Conditions

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

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

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

Conditions	Yield
With sulfuric acid In water	42%

: 49653-17-0
ethyl 2-ethoxyglycolate

: 123-38-6
propionaldehyde

: 62054-49-3
ethyl (E)-3-formyl-2-butenoate

Conditions

Conditions	Yield
With dibutylamine

: 97361-72-3
3-Methyl-4--crotonsaeureethylester

: 62054-49-3
ethyl (E)-3-formyl-2-butenoate

Conditions

Conditions	Yield
With sulfuric acid

4-hydroxy-3-methyl-trans(?)-crotonic acid ethyl ester: 4-hydroxy-3-methyl-trans(?)-crotonic acid ethyl ester

: 62054-49-3
ethyl (E)-3-formyl-2-butenoate

Conditions

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

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

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

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