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2,2-Diethoxypropionitrile

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Name

2,2-Diethoxypropionitrile

EINECS N/A
CAS No. 56011-12-2 Density 0.953 g/cm3
PSA 42.25000 LogP 1.29918
Solubility N/A Melting Point N/A
Formula C7H13NO2 Boiling Point 166 °C at 760 mmHg
Molecular Weight 143.186 Flash Point 53.2 °C
Transport Information N/A Appearance N/A
Safety 16-26-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 56011-12-2 (2,2-Diethoxypropionitrile) Hazard Symbols IrritantXi
Synonyms

Propanenitrile, 2,2-diethoxy-;

Article Data 5

2,2-Diethoxypropionitrile Synthetic route

7677-24-9

trimethylsilyl cyanide

78-39-7

Triethyl orthoacetate

56011-12-2

2,2-diethoxypropanenitrile

Conditions
ConditionsYield
With zinc(II) iodide at 10 - 15℃; for 5h; Inert atmosphere;96%
zinc(II) chloride at 25℃; for 3h;84%
19479-65-3

2-ethoxyacrylonitrile

64-17-5

ethanol

56011-12-2

2,2-diethoxypropanenitrile

Conditions
ConditionsYield
With sodium methylate
74-90-8

hydrogen cyanide

78-39-7

Triethyl orthoacetate

56011-12-2

2,2-diethoxypropanenitrile

Conditions
ConditionsYield
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
ConditionsYield
Multi-step reaction with 2 steps
1: diethylamine; diethyl ether
2: sodium methylate
View Scheme
56011-12-2

2,2-diethoxypropanenitrile

2,2-diethoxypropanethioamide

Conditions
ConditionsYield
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
ConditionsYield
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

1-(1-benzyl-4-tert-butyl-3-phenyl-1,4-dihydroquinolin-2-yl)ethanone

Conditions
ConditionsYield
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%
6018-41-3

methyl coumalate

56011-12-2

2,2-diethoxypropanenitrile

23676-08-6

methyl 4-ethoxybenzoate

Conditions
ConditionsYield
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

1-(3-pentyl-1H-indol-2-yl)-ethanone

Conditions
ConditionsYield
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

1-[3-(2,2-dimethyl-propyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-ethanone

Conditions
ConditionsYield
Multistep reaction.;44%

2,2-Diethoxypropionitrile 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.

2,2-Diethoxypropionitrile 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

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