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Basic Information
CAS No.: 626-34-6
Name: Ethyl 3-aminocrotonate
Article Data: 84
Molecular Structure:
Molecular Structure of 626-34-6 (Ethyl 3-aminocrotonate)
Formula: C6H11NO2
Molecular Weight: 129.159
Synonyms: 2-butenoic acid, 3-amino-, ethyl ester;
EINECS: 230-782-0
Density: 1.007 g/cm3
Melting Point: 33-35 °C(lit.)
Boiling Point: 212.5 °C at 760 mmHg
Flash Point: 97.2 °C
Solubility: Soluble in water (26 g/L) (25°C).
Appearance: liquid
Hazard Symbols: CorrosiveC
Risk Codes: 34-36/37
Safety: 26-27-28-36/37/39-45
Transport Information: UN 3263 8/PG 2
PSA: 52.32000
LogP: 1.11230
Synthetic route
141-97-9

ethyl acetoacetate

626-34-6

ethyl 3-aminobut-2-enoate

Conditions
ConditionsYield
With ammonium carbamate In methanol at 20℃; for 1.5h;100%
With ammonia; silica gel at 20℃; for 4h;99%
With ammonium hydroxide; montmorillonite K-10 for 24h; Ambient temperature;90%
115479-07-7

2-Acetyl-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-oxo-nonanoic acid ethyl ester

A

2358-22-7

tridecafluoroheptamide

B

626-34-6

ethyl 3-aminobut-2-enoate

Conditions
ConditionsYield
With ammonia In water at -20 - 20℃; for 3h;A 95%
B n/a
116206-91-8

2-Acetyl-4,4,5,5-tetrafluoro-3-oxo-pentanoic acid ethyl ester

A

2069-86-5

3-hydro-2,2,3,3-tetrafluoropropionamide

B

626-34-6

ethyl 3-aminobut-2-enoate

Conditions
ConditionsYield
With ammonia In water at -20 - 20℃; for 3h;A 83%
B n/a
141-97-9

ethyl acetoacetate

74-89-5

methylamine

626-34-6

ethyl 3-aminobut-2-enoate

Conditions
ConditionsYield
at 20℃;76%
105-36-2

ethyl bromoacetate

75-05-8

acetonitrile

626-34-6

ethyl 3-aminobut-2-enoate

Conditions
ConditionsYield
With zinc(II) oxide; zinc In tetrahydrofuran for 2h; Irradiation; sonochemical reaction;67%
141-97-9

ethyl acetoacetate

67-68-5

dimethyl sulfoxide

A

1149-23-1

diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

B

1149-24-2

2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester

C

626-34-6

ethyl 3-aminobut-2-enoate

Conditions
ConditionsYield
With ammonium acetate at 115℃; for 10h; Sealed tube;A 17%
B 12%
C 50%
626-34-6

ethyl 3-aminobut-2-enoate

Conditions
ConditionsYield
With ammonium acetate In ethanol at 20℃; for 60h; Inert atmosphere; Schlenk technique;
14377-18-5

1-(4-methylphenyl)prop-2-yn-1-one

626-34-6

ethyl 3-aminobut-2-enoate

271597-75-2

ethyl 2-methyl-6-(4-tolyl)pyridine-3-carboxylate

Conditions
ConditionsYield
Stage #1: 1-(4-methylphenyl)prop-2-yn-1-one; ethyl 3-aminobut-2-enoate In ethanol at 50℃; Addition;
Stage #2: at 125℃; for 1h; Cyclization; Further stages.;
100%
626-34-6

ethyl 3-aminobut-2-enoate

3623-15-2

phenyl propargyl ketone

1702-14-3

ethyl 2-methyl-6-phenylnicotinate

Conditions
ConditionsYield
In acetic acid; toluene at 170℃; for 0.166667h; Product distribution; Further Variations:; Solvents; microwave irradiation; Bohlmann-Rahtz synthesis;98%
13089-11-7

methyl 3,3,3-trifluoropyruvate

626-34-6

ethyl 3-aminobut-2-enoate

1-ethyl 6-methyl 3-amino-5-hydroxy-5-(trifluoromethyl)-2-hexendicarboxylate

Conditions
ConditionsYield
at 20℃; for 2h; Neat (no solvent);98%
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    Ethyl 3-aminocrotonate

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    Ethyl 3-Aminocrotonate

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  • ETHYL 3-AMINOCROTONATE CAS No.626-34-6

  • Casno:

    626-34-6

    ETHYL 3-AMINOCROTONATE CAS No.626-34-6

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    ETHYL 3-AMINOCROTONATE Basic information Product Name: ETHYL 3-AMINOCROTONATE Synonyms: Ethyl (2Z)-3-amino-2-butenoate;(Z)-ETHYL 3-AMINOBUT-2-ENOATE;3-AMINOCROTONIC

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Specification

The IUPAC name of Ethyl 3-aminocrotonate is ethyl (Z)-3-aminobut-2-enoate. With the CAS registry number 626-34-6, it is also named as 3-Amino-2-butenoic acid ethyl ester. The product's categories are Starting Raw Materials & Intermediates; Organic acids; C6 to C7; Carbonyl Compounds; Esters. Besides, it is liquid, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. In addition, its molecular formula is C6H11NO2 and molecular weight is 129.16.

The other characteristics of Ethyl 3-aminocrotonate can be summarized as: (1)EINECS: 230-782-0; (2)ACD/LogP: 0.39; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.18; (5)ACD/LogD (pH 7.4): 0.39; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1.16; (8)ACD/KOC (pH 5.5): 23.66; (9)ACD/KOC (pH 7.4): 38.56; (10)#H bond acceptors: 3; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 4; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 35.05 cm3; (15)Molar Volume: 128.1 cm3; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 1.007 g/cm3; (18)Flash Point: 81.7 °C; (19)Melting Point: 33-35 °C; (20)Enthalpy of Vaporization: 44.88 kJ/mol; (21)Boiling Point: 212.5 °C at 760 mmHg; (22)Vapour Pressure: 0.173 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It is also irritating to eyes and respiratory system. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, ypu should wear suitable protective clothing, gloves and eye/face protection. And please take off immediately all contaminated clothing. After contact with skin, wash immediately with plenty of soap-suds. Additionally, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)/C=C(\N)C
(2)InChI: InChI=1/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4-
(3)InChIKey: YPMPTULBFPFSEQ-PLNGDYQABY
(4)Std. InChI: InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4-
(5)Std. InChIKey: YPMPTULBFPFSEQ-PLNGDYQASA-N