Product Name

  • Name

    3,3-Dimethoxypropanenitrile

  • EINECS 260-842-1
  • CAS No. 57597-62-3
  • Article Data14
  • CAS DataBase
  • Density 0.979 g/cm3
  • Solubility
  • Melting Point
  • Formula C5H9NO2
  • Boiling Point 187.2 °C at 760 mmHg
  • Molecular Weight 115.132
  • Flash Point 86.7 °C
  • Transport Information
  • Appearance clear colorless to light yellow liquid
  • Safety 23-26-28-37/39
  • Risk Codes 20/21/22
  • Molecular Structure Molecular Structure of 57597-62-3 (3,3-Dimethoxypropanenitrile)
  • Hazard Symbols HarmfulXn
  • 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;
  • PSA 42.25000
  • LogP 0.51898

Synthetic route

methanol
67-56-1

methanol

(E)-β-cyanovinyl phenyl sulphone
64326-47-2

(E)-β-cyanovinyl phenyl sulphone

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

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

methanol

acrylonitrile
107-13-1

acrylonitrile

3,3-dimethoxypropionitrile
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.
N-(2-Cyano-1-methoxy-ethyl)-N-cyclohexyl-acetamide
98014-05-2

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

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

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

propiolonitrile

sodium methylate
124-41-4

sodium methylate

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
With methanol
sodium methylate
124-41-4

sodium methylate

trans-β-chloroacrylonitrile
871-29-4, 3721-37-7, 3721-38-8

trans-β-chloroacrylonitrile

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

Conditions
ConditionsYield
In ethanol
cyanoacetaldehyde
6162-76-1

cyanoacetaldehyde

trimethyl orthoformate
149-73-5

trimethyl orthoformate

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

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

acrylonitrile

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

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

methanol

acrylonitrile
107-13-1

acrylonitrile

A

3-Methoxypropionitrile
110-67-8

3-Methoxypropionitrile

B

3,3-dimethoxypropionitrile
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.
...Expand
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2,6-dichloro-4-trifluoromethylphenylhydrazine hydrochloride

2,6-dichloro-4-trifluoromethylphenylhydrazine hydrochloride

3-(2,6-dichloro-4-trifluoromethylphenylhydrazono)propionitrile
111884-98-1

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

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

3,3-dimethoxypropionitrile

1-methyl-4-nitrobenzene
99-99-0

1-methyl-4-nitrobenzene

1-(2-nitrophenyl)-4,4-dimethoxy-2-butanone
69626-62-6

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

Conditions
ConditionsYield
With piperidine at 110℃; for 4h; Reagent/catalyst;95.8%
2-amino-1-tert-butyl-4-cyanopyrrole
269726-49-0

2-amino-1-tert-butyl-4-cyanopyrrole

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

6-amino-1-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
915726-39-5

6-amino-1-tert-butyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

Conditions
ConditionsYield
Stage #1: 2-amino-1-tert-butyl-4-cyanopyrrole; 3,3-dimethoxypropionitrile With hydrogenchloride In ethanol for 2h; Heating / reflux;
Stage #2: With sodium hydroxide In water		93%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2-amino-2'-chloro-3,5-dimethylbenzophenone

2-amino-2'-chloro-3,5-dimethylbenzophenone

4-(2-chlorophenyl)-6,8-dimethyl-3-quinolinecarbonitrile

4-(2-chlorophenyl)-6,8-dimethyl-3-quinolinecarbonitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene for 3h; Heating;92%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

N-hydroxy-3,3-dimethoxypropanimidamide
197075-61-9

N-hydroxy-3,3-dimethoxypropanimidamide

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium hydrogencarbonate In methanol for 16h; Reflux;87%
With hydroxylamine hydrochloride; sodium hydrogencarbonate In methanol at 80℃; for 15h;4.5 g
Methyl formate
107-31-3

Methyl formate

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

3,3-dimethoxy-2-formyl-propanenitrile sodium salt
105161-33-9

3,3-dimethoxy-2-formyl-propanenitrile sodium salt

Conditions
ConditionsYield
With sodium hydride In diethyl ether at 20℃; for 48h;86%
With sodium methylate In toluene at 35 - 40℃; for 6h; Product distribution / selectivity;55 %Chromat.
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

1-amino-4-bromo-1H-pyrrole-2-carboxylic acid methyl ester
1208361-39-0

1-amino-4-bromo-1H-pyrrole-2-carboxylic acid methyl ester

6-bromo-4-hydroxypyrrolo[1,2-b]pyridazine-3-carbonitrile
1400580-13-3

6-bromo-4-hydroxypyrrolo[1,2-b]pyridazine-3-carbonitrile

Conditions
ConditionsYield
Stage #1: 3,3-dimethoxypropionitrile; 1-amino-4-bromo-1H-pyrrole-2-carboxylic acid methyl ester With toluene-4-sulfonic acid In tetrahydrofuran at 80℃; for 6h;
Stage #2: With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 80℃; for 10h;		85%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

tert-butyl 3-thienylcarbamate
19228-91-2

tert-butyl 3-thienylcarbamate

[2-((E)-2-Cyano-vinyl)-thiophen-3-yl]-carbamic acid tert-butyl ester

[2-((E)-2-Cyano-vinyl)-thiophen-3-yl]-carbamic acid tert-butyl ester

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane for 2h; Ambient temperature;83%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2-hydroxyimino-3-oxopropionitrile
571178-16-0

2-hydroxyimino-3-oxopropionitrile

Conditions
ConditionsYield
Stage #1: 3,3-dimethoxypropionitrile With sodium nitrite In water at -5℃;
Stage #2: With hydrogenchloride In water at -5 - 20℃; for 2.5h;		76%
furfural
98-01-1

furfural

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

(E)-2-formyl-3-(furan-2-yl)acrylonitrile
148840-19-1

(E)-2-formyl-3-(furan-2-yl)acrylonitrile

Conditions
ConditionsYield
With sodium In methanol for 72h; Ambient temperature;75%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

3-aminopropionaldehyde dimethyl acetal
60185-84-4

3-aminopropionaldehyde dimethyl acetal

Conditions
ConditionsYield
With methanol; sodium for 2h; Heating;71%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

formic acid ethyl ester
109-94-4

formic acid ethyl ester

sodium (E)-2-cyano-3,3-dimethoxy-prop-1-en-1-olate
105161-33-9

sodium (E)-2-cyano-3,3-dimethoxy-prop-1-en-1-olate

Conditions
ConditionsYield
With sodium hydride In diethyl ether at 20℃; for 48h;70%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2-amino-4'-methylbenzophenone
36192-63-9

2-amino-4'-methylbenzophenone

4-(4-methylphenyl)-3-quinolinecarboxylate
149323-56-8

4-(4-methylphenyl)-3-quinolinecarboxylate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene for 6h; Heating;69%
3-thiophene carboxaldehyde
498-62-4

3-thiophene carboxaldehyde

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2-(Dimethoxymethyl)-3-(thien-3-yl)acrylonitrile

2-(Dimethoxymethyl)-3-(thien-3-yl)acrylonitrile

Conditions
ConditionsYield
With sodium methylate In methanol at 20℃;69%
With sodium methylate In methanol65 g (69%)
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

benzaldehyde
100-52-7

benzaldehyde

(E)-2-Dimethoxymethyl-3-phenyl-acrylonitrile
163921-40-2

(E)-2-Dimethoxymethyl-3-phenyl-acrylonitrile

Conditions
ConditionsYield
With sodium methylate In methanol Ambient temperature;68%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

benzaldehyde
100-52-7

benzaldehyde

2-(dimethoxymethyl)-3-phenylacrylonitrile

2-(dimethoxymethyl)-3-phenylacrylonitrile

Conditions
ConditionsYield
With sodium methylate In methanol at 20℃; for 72.25h;68%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

methyl 2-(2,6-dichlorophenyl)acrylate
1203555-33-2

methyl 2-(2,6-dichlorophenyl)acrylate

methyl 2-(2,6-dichlorophenyl)-4-cyano-5,5-dimethoxypentanoate
1203555-38-7

methyl 2-(2,6-dichlorophenyl)-4-cyano-5,5-dimethoxypentanoate

Conditions
ConditionsYield
Stage #1: 3,3-dimethoxypropionitrile; methyl 2-(2,6-dichlorophenyl)acrylate With potassium tert-butylate In tetrahydrofuran at -78℃; for 0.0833333h; Michael addition;
Stage #2: With acetic acid In tetrahydrofuran		68%
acetic acid methyl ester
79-20-9

acetic acid methyl ester

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2-(dimethoxymethyl)-3-oxo-butanenitrile sodium salt

2-(dimethoxymethyl)-3-oxo-butanenitrile sodium salt

Conditions
ConditionsYield
With sodium hydride In diethyl ether at 20℃; for 48h;65%
2-methyl-3-(trifluoromethyl)benzaldehyde
878001-20-8

2-methyl-3-(trifluoromethyl)benzaldehyde

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

(2E)-2-[bis(methyloxy)methyl]-3-[2-methyl-3-(trifluoromethyl)phenyl]-2-propenenitrile
1420468-43-4

(2E)-2-[bis(methyloxy)methyl]-3-[2-methyl-3-(trifluoromethyl)phenyl]-2-propenenitrile

Conditions
ConditionsYield
With sodium methylate In methanol at 20℃;64%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

benzaldehyde
100-52-7

benzaldehyde

[E]-α-cyanocinnamaldehyde
56069-64-8

[E]-α-cyanocinnamaldehyde

Conditions
ConditionsYield
Stage #1: 3,3-dimethoxypropionitrile; benzaldehyde at 20℃; for 8h;
Stage #2: With hydrogenchloride at 20℃; for 2h;		64%
N-(thiophen-3-yl)acetamide
42602-67-5

N-(thiophen-3-yl)acetamide

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

N-[2-((E)-2-Cyano-vinyl)-thiophen-3-yl]-acetamide

N-[2-((E)-2-Cyano-vinyl)-thiophen-3-yl]-acetamide

Conditions
ConditionsYield
With hydrogenchloride In dichloromethane for 2h; Ambient temperature;63%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

3-chloro-N-(2-fluoro-2-methylpropyl)-7-hydrazino-8,9-dihydro-7H-cyclopenta[h]isoquinoline-5-sulfonamide

3-chloro-N-(2-fluoro-2-methylpropyl)-7-hydrazino-8,9-dihydro-7H-cyclopenta[h]isoquinoline-5-sulfonamide

7-(5-aminopyrazol-1-yl)-3-chloro-N-(2-fluoro-2-methylpropyl)-8,9-dihydro-7H-cyclopenta[h]isoquinoline-5-sulfonamide

7-(5-aminopyrazol-1-yl)-3-chloro-N-(2-fluoro-2-methylpropyl)-8,9-dihydro-7H-cyclopenta[h]isoquinoline-5-sulfonamide

Conditions
ConditionsYield
With hydrogenchloride In ethanol at 80℃; Sealed tube;62%
dibenzoazepine
256-96-2

dibenzoazepine

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

3-(5H-dibenzo[b,f]azepin-5-yl)propanenitrile

3-(5H-dibenzo[b,f]azepin-5-yl)propanenitrile

Conditions
ConditionsYield
With triethylsilane; trifluoroacetic acid In dichloromethane at 20℃; for 16h; Inert atmosphere;60%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

2,6-dichloro-4-(trifluoromethyl)phenyl hydrazine
86398-94-9

2,6-dichloro-4-(trifluoromethyl)phenyl hydrazine

3-(2,6-dichloro-4-trifluoromethylphenylhydrazono)propionitrile
111884-98-1

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

Conditions
ConditionsYield
With hydrogenchloride at 80℃; for 2h;59%
3-aminothiophene
17721-06-1

3-aminothiophene

3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

thieno[3,2-b]pyridine-6-carbonitrile
116538-95-5

thieno[3,2-b]pyridine-6-carbonitrile

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran for 12h; Ambient temperature;57%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

acetic anhydride
108-24-7

acetic anhydride

N-(3,3-dimethoxypropyl)acetamide
1262142-10-8

N-(3,3-dimethoxypropyl)acetamide

Conditions
ConditionsYield
With methanol; nickel(II) sulphate; sodium tetrahydroborate at 20℃;56%
With hydrogen In tetrahydrofuran at 60℃; under 3040.2 Torr; for 6h;35%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

1,2,4-trimethoxy-benzene
135-77-3

1,2,4-trimethoxy-benzene

3,3-bis(2,4,5-trimethoxyphenyl)propanenitrile
1431862-18-8

3,3-bis(2,4,5-trimethoxyphenyl)propanenitrile

Conditions
ConditionsYield
With trifluorormethanesulfonic acid In acetonitrile at 0 - 20℃; for 24h;55%
3,3-dimethoxypropionitrile
57597-62-3

3,3-dimethoxypropionitrile

methyl 2-(2,6-dichlorophenyl)acrylate
1203555-33-2

methyl 2-(2,6-dichlorophenyl)acrylate

guanidine hydrogen carbonate
124-46-9, 20734-13-8, 100224-74-6, 593-85-1

guanidine hydrogen carbonate

2-amino-6-(2,6-dichlorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
1203555-39-8

2-amino-6-(2,6-dichlorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one

Conditions
ConditionsYield
Stage #1: 3,3-dimethoxypropionitrile; methyl 2-(2,6-dichlorophenyl)acrylate With potassium tert-butylate In tetrahydrofuran at 20℃; for 0.0833333h;
Stage #2: With acetic acid In tetrahydrofuran
Stage #3: guanidine hydrogen carbonate With pyridine at 180℃; for 1h; Microwave irradiation;		53%
...Expand

3,3-Dimethoxypropanenitrile 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

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