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57597-62-3

Basic Information
CAS No.: 57597-62-3
Name: 3,3-Dimethoxypropanenitrile
Article Data: 14
Molecular Structure:
Molecular Structure of 57597-62-3 (3,3-Dimethoxypropanenitrile)
Formula: C5H9NO2
Molecular Weight: 115.132
Synonyms: Acetaldehyde,cyano-, dimethyl acetal (6CI,7CI);1-Cyano-2,2-dimethoxyethane;2-Cyano-1,1-dimethoxyethane;3,3-Dimethoxypropanenitrile;3,3-Dimethoxypropionitrile;Cyanoacetaldehyde dimethyl acetal;b,b-Dimethoxypropionitrile;
EINECS: 260-842-1
Density: 0.979 g/cm3
Boiling Point: 187.2 °C at 760 mmHg
Flash Point: 86.7 °C
Appearance: clear colorless to light yellow liquid
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22
Safety: 23-26-28-37/39
PSA: 42.25000
LogP: 0.51898
Synthetic route
67-56-1

methanol

64326-47-2

(E)-β-cyanovinyl phenyl sulphone

57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With sodium methylate for 0.25h;100%
67-56-1

methanol

107-13-1

acrylonitrile

57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With methanesulfonic acid; Pd(OAc)2 on carbon; Pd(OAc)2 on carbon - molybdovanadophosphate; oxygen at 60℃; under 760.051 Torr; for 20h; Oxidation; Addition;96%
With palladium on activated charcoal; oxygen; copper dichloride under 7500.75 Torr; for 8h; Heating;30%
With carbon dioxide; oxygen; palladium dichloride at 50℃; under 105011 Torr; for 15h;77.1 % Chromat.
98014-05-2

N-(2-Cyano-1-methoxy-ethyl)-N-cyclohexyl-acetamide

57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In methanol for 2.5h; Heating;10%
1070-71-9

propiolonitrile

124-41-4

sodium methylate

57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With methanol
124-41-4

sodium methylate

871-29-4, 3721-37-7, 3721-38-8

trans-β-chloroacrylonitrile

57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
In ethanol
6162-76-1

cyanoacetaldehyde

149-73-5

trimethyl orthoformate

57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In methanol; dichloromethane at 50℃; for 2h;3.9 g
107-13-1

acrylonitrile

57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
palladium(II) chloride In methanol
67-56-1

methanol

107-13-1

acrylonitrile

A

110-67-8

3-Methoxypropionitrile

B

57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With carbon dioxide; oxygen; copper dichloride; palladium dichloride at 57℃; under 97507.8 Torr; for 12h;A 10.7 % Chromat.
B 87.5 % Chromat.
57597-62-3

3,3-dimethoxypropionitrile

2,6-dichloro-4-trifluoromethylphenylhydrazine hydrochloride

111884-98-1

3-(2,6-dichloro-4-trifluoromethylphenylhydrazono)propionitrile

Conditions
ConditionsYield
In tetrachloromethane; water at 75℃; for 10h;98%
57597-62-3

3,3-dimethoxypropionitrile

99-99-0

1-methyl-4-nitrobenzene

69626-62-6

1-(2-nitrophenyl)-4,4-dimethoxy-2-butanone

Conditions
ConditionsYield
With piperidine at 110℃; for 4h; Reagent/catalyst;95.8%
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  • Propanenitrile, 3,3-dimethoxy-

  • Casno:

    57597-62-3

    Propanenitrile, 3,3-dimethoxy-

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  • 3,3-dimethoxypropanenitrile CAS NO.57597-62-3

  • Casno:

    57597-62-3

    3,3-dimethoxypropanenitrile CAS NO.57597-62-3

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  • 3,3-dimethoxypropanenitrile CAS NO.57597-62-3

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    57597-62-3

    3,3-dimethoxypropanenitrile CAS NO.57597-62-3

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    57597-62-3

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  • 3,3-dimethoxypropanenitrile CAS NO.57597-62-3

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    57597-62-3

    3,3-dimethoxypropanenitrile CAS NO.57597-62-3

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  • 3,3-Dimethoxypropanenitrile

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    3,3-Dimethoxypropanenitrile

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  • 3,3-Dimethoxypropanenitrile

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    3,3-Dimethoxypropanenitrile

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Specification

The cas register number of 3,3-Dimethoxypropanenitrile is 57597-62-3. It also can be called as Propanenitrile,3,3-dimethoxy- and the IUPAC Name about this chemical is 3,3-dimethoxypropanenitrile. It belongs to the following product categories, such as API intermediates, C1 to C5, Cyanides/Nitriles, Nitrogen Compounds and so on.

Physical properties about 3,3-Dimethoxypropanenitrile are: (1)ACD/LogP: 0.04; (2)ACD/LogD (pH 5.5): 0.04; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.11; (7)ACD/KOC (pH 7.4): 25.11; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 42.25Å2; (11)Index of Refraction: 1.401; (12)Molar Refractivity: 28.57 cm3; (13)Molar Volume: 117.5 cm3; (14)Polarizability: 11.32x10-24cm3; (15)Surface Tension: 30.4 dyne/cm; (16)Enthalpy of Vaporization: 42.34 kJ/mol; (17)Vapour Pressure: 0.639 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection, and also not breathe vapour. After contact with skin, wash immediately with plenty of soap-suds. 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)Canonical SMILES: COC(CC#N)OC
(2)InChI: InChI=1S/C5H9NO2/c1-7-5(8-2)3-4-6/h5H,3H2,1-2H3
(3)InChIKey: JYHSJQNYYLGMEI-UHFFFAOYSA-N