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| CAS No.: | 56011-12-2 |
|---|---|
| Name: | 2,2-Diethoxypropionitrile |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| Formula: | C7H13NO2 |
| Molecular Weight: | 143.186 |
| Synonyms: | Propanenitrile, 2,2-diethoxy-; |
| Density: | 0.953 g/cm3 |
| Boiling Point: | 166 °C at 760 mmHg |
| Flash Point: | 53.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36 |
| PSA: | 42.25000 |
| LogP: | 1.29918 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With zinc(II) iodide at 10 - 15℃; for 5h; Inert atmosphere; | 96% |
| zinc(II) chloride at 25℃; for 3h; | 84% |
| Conditions | Yield |
|---|---|
| With sodium methylate |
| Conditions | Yield |
|---|---|
| With zinc(II) chloride | |
| With sulfur dioxide; zinc(II) chloride |
- 87271-69-0
2-ethoxy-3-bromo-propionitrile
- 56011-12-2
2,2-diethoxypropanenitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: diethylamine; diethyl ether 2: sodium methylate View Scheme |
- 56011-12-2
2,2-diethoxypropanenitrile
| Conditions | Yield |
|---|---|
| With sodium hydrogen sulfide monohydrate; triethylamine hydrochloride In tetrahydrofuran; ethanol at 20℃; for 12h; Kinetics; Reagent/catalyst; Solvent; Inert atmosphere; | 87% |
| With pyridine; diammonium sulfide In water at 20℃; for 18h; Inert atmosphere; | 84% |
- 56011-12-2
2,2-diethoxypropanenitrile
- 885965-30-0
2,2-diethoxy-N'-hydroxypropanamidine
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride; sodium carbonate In methanol; water for 17h; Reflux; | 77% |
- 909297-33-2
(E)-2-(((2-styrylphenyl)amino)methyl)phenol
- 56011-12-2
2,2-diethoxypropanenitrile
- 594-19-4
tert.-butyl lithium
| Conditions | Yield |
|---|---|
| Stage #1: (E)-2-(((2-styrylphenyl)amino)methyl)phenol; tert.-butyl lithium In tetrahydrofuran; pentane at -25℃; for 1h; Stage #2: 2,2-diethoxypropanenitrile In tetrahydrofuran; pentane at -25℃; for 2h; Stage #3: With hydrogenchloride In tetrahydrofuran; pentane at 20℃; for 0.5h; Further stages.; | 50% |
| Conditions | Yield |
|---|---|
| In toluene at 200℃; for 16h; | 48% |
- 109-72-8, 29786-93-4
n-butyllithium
- 56011-12-2
2,2-diethoxypropanenitrile
- 442850-92-2
(2-vinylphenyl)carbamic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| Stage #1: n-butyllithium; (2-vinylphenyl)carbamic acid tert-butyl ester With N,N,N,N,-tetramethylethylenediamine In diethyl ether; pentane at -78 - -25℃; for 2h; Stage #2: 2,2-diethoxypropanenitrile In diethyl ether; pentane at -78 - -25℃; Stage #3: With hydrogenchloride In water; ethyl acetate at 20℃; for 16h; | 44% |
- 56011-12-2
2,2-diethoxypropanenitrile
- 594-19-4
tert.-butyl lithium
- 850014-31-2
2,2-dimethyl-N-(3-vinyl-pyridin-2-yl)-propionamide
| Conditions | Yield |
|---|---|
| Multistep reaction.; | 44% |
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Specification
The 2,2-Diethoxypropionitrile, with the CAS registry number 56011-12-2, is also known as Propanenitrile, 2,2-diethoxy-. It belongs to the product categories of Miscellaneous; C6 to C7; Cyanides/Nitriles; Nitrogen Compounds. This chemical's molecular formula is C7H13NO2 and molecular weight is 143.18. What's more, its systematic name is called 2,2-Diethoxypropanenitrile. When you store this chemical, you should keep container tightly sealed and store in a cool, dry place, to ensure that workplaces have good ventilation or exhaust.
Physical properties about this chemical are: (1)ACD/LogP: 1.65; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.55; (6)ACD/BCF (pH 7.4): 10.55; (7)ACD/KOC (pH 5.5): 187.95; (8)ACD/KOC (pH 7.4): 187.95; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.25 Å2; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 37.84 cm3; (15)Molar Volume: 150.2 cm3; (16)Surface Tension: 30.6 dyne/cm; (17)Density: 0.953 g/cm3; (18)Flash Point: 53.2 °C; (19)Enthalpy of Vaporization: 40.25 kJ/mol; (20)Boiling Point: 166 °C at 760 mmHg; (21)Vapour Pressure: 1.82 mmHg at 25 °C.
Preparation of 2,2-Diethoxypropionitrile: this chemical can be prepared by 1,1,1-Triethoxy-ethane and Trimethyl-silanecarbonitrile.
This reaction needs catalyst ZnCl2 at temperature of 25 °C. The reaction time is 3 hours. The yield is 84%.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is flammable. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, you should keep away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CC(OCC)(OCC)C
(2) InChI: InChI=1/C7H13NO2/c1-4-9-7(3,6-8)10-5-2/h4-5H2,1-3H3
(3) InChIKey: QPFCLGADWIWYFW-UHFFFAOYAO