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Cas Database |
| Name |
Ethyl 2,3-dicyanopropionate |
EINECS | N/A |
| CAS No. | 40497-11-8 | Density | 1.129 g/cm3 |
| PSA | 73.88000 | LogP | 0.60296 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H8N2O2 | Boiling Point | 338.17 °C at 760 mmHg |
| Molecular Weight | 152.153 | Flash Point | 147.474 °C |
| Transport Information | N/A | Appearance | Brown oil |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propionicacid, 2,3-dicyano-, ethyl ester (6CI);2,3-Dicyanopropanoic acid ethyl ester;2,3-Dicyanopropionic acid ethyl ester;Ethyl 2,3-dicyanopropanoate; |
Article Data | 21 |
Ethyl 2,3-dicyanopropionate Synthetic route
- 773837-37-9
sodium cyanide
- 50-00-0
formaldehyd
- 105-56-6
ethyl 2-cyanoacetate
- 40497-11-8
ethyl 2,3-dicyanopropanoate
| Conditions | Yield |
|---|---|
| Stage #1: sodium cyanide; formaldehyd In N,N-dimethyl-formamide for 2h; Reflux; Stage #2: ethyl 2-cyanoacetate In N,N-dimethyl-formamide at 28 - 30℃; for 4h; Temperature; | 98.5% |
| With 2-amino-3-hydroxypyridine; 2-Amino-2-methylpropane-1,3-diol; diethyl malonate In dimethyl sulfoxide at 20℃; for 20h; Temperature; Reagent/catalyst; | 97.2% |
| Stage #1: sodium cyanide; formaldehyd In ethanol at 5 - 10℃; for 4h; Stage #2: With hydrogenchloride In ethanol at 5 - 10℃; Stage #3: ethyl 2-cyanoacetate With ethanol; sodium at 5 - 30℃; for 10h; Product distribution / selectivity; | 75.2% |
| In ethanol; dichloromethane for 0.666667h; Reflux; | 63% |
| With tetrabutylammomium bromide In dichloromethane; water at 10 - 90℃; Reagent/catalyst; Solvent; | 81.21 g |
| Conditions | Yield |
|---|---|
| Stage #1: sodium cyanide In isopropyl alcohol at 30℃; for 4h; Stage #2: ethyl-2-cyanoacrilate With methanesulfonic acid In isopropyl alcohol at 20 - 25℃; for 6h; Solvent; Reagent/catalyst; Temperature; | 86% |
| Stage #1: sodium cyanide; ethyl-2-cyanoacrilate With methanesulfonic acid In isopropyl alcohol at 20 - 25℃; for 6h; Stage #2: With hydrogenchloride In isopropyl alcohol at 10℃; Product distribution / selectivity; |
- 7677-24-9
trimethylsilyl cyanide
- 117659-25-3
ethyl (E)-3-[(4-methylphenyl)sulfonyl]-2-propenoate
- 40497-11-8
ethyl 2,3-dicyanopropanoate
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran; acetonitrile at 20℃; for 2h; Michael Addition; Inert atmosphere; | 83% |
- 50-00-0
formaldehyd
- 151-50-8
potassium cyanide
- 105-56-6
ethyl 2-cyanoacetate
- 40497-11-8
ethyl 2,3-dicyanopropanoate
| Conditions | Yield |
|---|---|
| With water In dimethyl sulfoxide at 20℃; for 15h; | 80% |
| In ethanol |
| Conditions | Yield |
|---|---|
| Stage #1: ethyl 2-cyanoacetate With sodium ethanolate In ethanol for 0.5h; Stage #2: glycolonitrile In ethanol at 5 - 30℃; for 8h; Stage #3: In ethanol; water at 5 - 10℃; pH=4.45; | 79.6% |
| Stage #1: ethyl 2-cyanoacetate With sodium ethanolate; sodium In ethanol for 0.5h; Stage #2: glycolonitrile In ethanol at 5 - 30℃; for 8h; | 79.6% |
| With potassium carbonate In N,N-dimethyl-formamide at 15 - 25℃; Product distribution / selectivity; | 77% |
| With sodium ethanolate In ethanol for 1h; Heating; | |
| Stage #1: ethyl 2-cyanoacetate With ethanol; sodium for 0.5h; Stage #2: glycolonitrile In ethanol at 5 - 30℃; for 8h; |
- 105-56-6
ethyl 2-cyanoacetate
- 40497-11-8
ethyl 2,3-dicyanopropanoate
| Conditions | Yield |
|---|---|
| With paraformaldehyde In ethanol; water | 77% |
- 64-17-5
ethanol
- 18852-51-2
sodium cyanoacetic acid ethyl ester
- 107-16-4
glycolonitrile
- 40497-11-8
ethyl 2,3-dicyanopropanoate
| Conditions | Yield |
|---|---|
| in kaltem Alkohol; |
- 18852-51-2
sodium cyanoacetic acid ethyl ester
- 107-16-4
glycolonitrile
- 40497-11-8
ethyl 2,3-dicyanopropanoate
| Conditions | Yield |
|---|---|
| With ethanol |
- 64-67-5
diethyl sulfate
- 124-38-9
carbon dioxide
- 13435-20-6
tetraethylammoniumcyanide
- 107-13-1
acrylonitrile
- 40497-11-8
ethyl 2,3-dicyanopropanoate
| Conditions | Yield |
|---|---|
| (i), (ii) /BRN= 605310/, (iii) /BRN= 1209714/; Multistep reaction; |
- 151-50-8
potassium cyanide
- 535-11-5, 41978-69-2
Ethyl 2-bromopropionate
A
- 40497-11-8
ethyl 2,3-dicyanopropanoate
| Conditions | Yield |
|---|---|
| With ethanol |
Ethyl 2,3-dicyanopropionate Specification
The CAS register number of Ethyl 2,3-dicyanopropionate is 40497-11-8. It also can be called as Propanoic acid,2,3-dicyano-, ethyl ester and the systematic name about this chemical is ethyl 2,3-dicyanopropanoate. The molecular formula about this chemical is C7H8N2O2 and the molecular weight is 152.15. It belongs to the following product categories which include All Aliphatics; Aliphatics and so on. This chemical can be used as an intermediate for insecticide.
Physical properties about Ethyl 2,3-dicyanopropionate are: (1)ACD/LogP: -0.11; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 73.88Å2; (5)Index of Refraction: 1.448; (6)Molar Refractivity: 36.04 cm3; (7)Molar Volume: 134.708 cm3; (8)Polarizability: 14.287x10-24cm3; (9)Surface Tension: 45.236 dyne/cm; (10)Flash Point: 147.474 °C; (11)Enthalpy of Vaporization: 58.15 kJ/mol; (12)Boiling Point: 338.17 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(C#N)C(=O)OCC
(2)InChI: InChI=1/C7H8N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-3H2,1H3
(3)InChIKey: NPZOLWMDTPEVEI-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H8N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-3H2,1H3
(5)Std. InChIKey: NPZOLWMDTPEVEI-UHFFFAOYSA-N
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