3,3-Diethoxypropionitrile supplier

Name
3,3-Diethoxypropionitrile
EINECS 217-988-6
CAS No. 2032-34-0
Article Data13
CAS DataBase
Density 0.951 g/cm³
Solubility
Melting Point 82-84 °C
Formula C₇H₁₃NO₂
Boiling Point 235.17 °C at 760 mmHg
Molecular Weight 143.186
Flash Point 83.889 °C
Transport Information UN 3275
Appearance Clear yellow to brownish liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Acetaldehyde,cyano-, diethyl acetal (6CI,7CI,8CI);Cyanoacetaldehyde diethylacetal;Malonaldehydenitrile diethyl acetal;
PSA 42.25000
LogP 1.29918

Synthetic route

: 288-14-2
ISOXAZOLE

: 64-67-5
diethyl sulfate

A: 61310-53-0
3-ethoxyacrylonitrile

B: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

Conditions

Conditions	Yield
With sodium hydroxide; ethanol

...Expand

: 1070-71-9
propiolonitrile

: 141-52-6
sodium ethanolate

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

Conditions

Conditions	Yield
With ethanol

: 61310-53-0
3-ethoxyacrylonitrile

: 141-52-6
sodium ethanolate

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 41365-74-6
3,3-diethoxypropionic amide

A: 61310-53-0
3-ethoxyacrylonitrile

B: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

Conditions

Conditions	Yield
With phosphorus pentoxide; triethylamine; benzene

: 151-50-8
potassium cyanide

: 2032-35-1
Bromoacetaldehyde diethyl acetal

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

Conditions

Conditions	Yield
With ethanol; sodium iodide

: 141-52-6
sodium ethanolate

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

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

Conditions

Conditions	Yield
In ethanol

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 1222172-49-7
methyl 5-acetamido-2-amino-4-ethoxybenzoate

: 1222172-50-0
methyl 5-acetamido-2-[(2-cyanovinyl)amino]-4-ethoxybenzoate

Conditions

Conditions	Yield
Stage #1: 3,3-bis(ethyloxy)propanenitrile With water; trifluoroacetic acid at 20℃; for 12h; Stage #2: methyl 5-acetamido-2-amino-4-ethoxybenzoate In ethyl acetate at 20℃; Product distribution / selectivity;	96%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 1222172-51-1
ethyl 5-acetamido-2-amino-4-ethoxybenzoate

: 1222172-52-2
ethyl 2-[(2-cyanovinyl)amino]-4-ethoxy-5-acetylamidobenzoate

Conditions

Conditions	Yield
Stage #1: 3,3-bis(ethyloxy)propanenitrile With water; trifluoroacetic acid at 20℃; for 9h; Stage #2: ethyl 5-acetamido-2-amino-4-ethoxybenzoate In ethyl acetate at 20℃; for 12h;	90.6%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 1260243-04-6, 6994-25-8
ethyl 5-amino-1H-pyrazole-4-carboxylate

: ethyl 7-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane Reflux;	88%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 74-86-2
acetylene

: 91340-40-8
2-(2,2-diethoxyethyl)pyridine

Conditions

Conditions	Yield
(η5-cyclopentadienyl)-η4-cycloocta-1,5-dienecobalt(I) In toluene at 25℃; for 4h; Irradiation;	87%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 45534-08-5
5-amino-3-methylthio-1,2,4-triazole

: 113967-74-1
5-Amino-2-methylthio-1,2,4-triazolo<1,5-a>pyrimidine

Conditions

Conditions	Yield
Stage #1: 3,3-bis(ethyloxy)propanenitrile; 5-amino-3-methylthio-1,2,4-triazole With hydrogenchloride In 1,4-dioxane Reflux; Stage #2: With potassium hydroxide In ethanol; water at 40℃; Dimroth Rearrangement;	86%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 214470-59-4
2-Amino-4-(3-chloro-propoxy)-5-methoxy-benzoic acid methyl ester

: 1248588-02-4
methyl (E)-4-(3-chloropropoxy)-2-(2-cyanovinylamino)-5-methoxybenzoate

Conditions

Conditions	Yield
Stage #1: 3,3-bis(ethyloxy)propanenitrile With water; trifluoroacetic acid at 5 - 10℃; for 6h; Inert atmosphere; Stage #2: 2-Amino-4-(3-chloro-propoxy)-5-methoxy-benzoic acid methyl ester In water; ethyl acetate for 0.166667h; Inert atmosphere;	84.3%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 4922-99-0
3-(thiophen-2-yl)-1H-1,2,4-triazol-5-amine

: 2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane Reflux;	83%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 181296-27-5
(2E)-4-(1,3-Benzodithiol-2-yliden)but-2-enal

: (2E,4E)-6-Benzo[1,3]dithiol-2-ylidene-2-formyl-hexa-2,4-dienenitrile

Conditions

Conditions	Yield
With sodium methylate In tetrahydrofuran for 24h; Ambient temperature;	81%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 59278-65-8
2-amino-4-bromobenzaldehyde

: 1375108-40-9
7-bromo-3-quinolinecarbonitrile

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate In toluene for 3h; Reflux;	75%
With toluene-4-sulfonic acid In toluene for 3h; Dean-Stark; Reflux;	75%
With toluene-4-sulfonic acid In toluene for 3h; Reflux;	75%
With toluene-4-sulfonic acid In toluene for 3h; Reflux; Dean-Stark;	75%

: 107-31-3
Methyl formate

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 3,3-diethoxy-2-formylpropionitrile potassium salt

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran; hexane at 10 - 20℃; for 3.08h;	73%
With potassium tert-butylate In tetrahydrofuran; hexane
With potassium tert-butylate In tetrahydrofuran; hexane

: 107-31-3
Methyl formate

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 449811-60-3
1,3-diethoxy-2-formylpropionitrile potassium salt

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 10 - 20℃; for 2.75h;	73%
With potassium tert-butylate In tetrahydrofuran at 10 - 20℃; for 2.75h;
With potassium tert-butylate In tetrahydrofuran at 10 - 20℃; for 2.075h;

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 61-82-5
3-amino-1,2,4-triazole

A: 5915-16-2
7-amine-1,2,4-triazolo[1,5-a]pyrimidine

B: [1,2,4]triazolo[4,3-a]pyrimidin-5-amine

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water Reflux;	A n/a B 72%

...Expand

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 61-82-5
3-amino-1,2,4-triazole

: 5915-16-2
7-amine-1,2,4-triazolo[1,5-a]pyrimidine

Conditions

Conditions	Yield
Stage #1: 3,3-bis(ethyloxy)propanenitrile; 3-amino-1,2,4-triazole With hydrogenchloride In ethanol for 3h; Reflux; Stage #2: With potassium hydroxide In ethanol; water at 20℃; Dimroth Rearrangement;	71%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 181046-74-2
(E)-4-(4,5-dimethyl-1,3-dithiol-2-ylidene)but-2-enal

: (2E,4E)-6-(4,5-Dimethyl-[1,3]dithiol-2-ylidene)-2-formyl-hexa-2,4-dienenitrile

Conditions

Conditions	Yield
With sodium methylate In tetrahydrofuran for 72h; Ambient temperature;	69%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 50709-36-9
(2,6-dichlorophenyl)hydrazine monohydrochloride

: 1-(2,6-dichlorophenyl)-1H-pyrazol-5-amine

Conditions

Conditions	Yield
In ethanol for 18h; Reflux;	68%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 120-21-8
4-Diethylaminobenzaldehyde

: (E)-3-(4-(diethylamino) phenyl)-2-formylacrylonitrile

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 60℃;	68%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 3663-61-4
3-(furan-2-yl)-1H-1,2,4-triazol-5-amine

: 2-(furan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane Reflux;	68%

: 4418-61-5
5-aminotetrazole

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: tetrazolo[1,5-a]pyrimidin-7-amine

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane Reflux;	67%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 25979-00-4
3-amino-5-trifluoromethyl<1,2,4>triazole

: 2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane Reflux;	65%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: (2,2-diethoxyethyl)-2,4-diphenyl-1H-pyrrole

: 1,3-diphenylindolizine-7-carbonitrile

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In acetonitrile at 60℃; for 4h;	65%

: 878001-20-8
2-methyl-3-(trifluoromethyl)benzaldehyde

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

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

Conditions

Conditions	Yield
With sodium methylate In methanol at 20℃;	64%
With sodium methylate In methanol; water; ethyl acetate

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 4181-05-9
4-(diphenylamino)benzaldehyde

: (E)-3-(4-(diphenylamino) phenyl)-2-formylacrylonitrile

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 60℃;	62%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 18413-61-1
10-ethyl-10H-phenothiazine-3-carbaldehyde

: (E)-3-(10-ethyl-10H-phenothiazine-3-yl) 2formylacrylonitrile

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 60℃;	60%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 4923-01-7
3-methyl-1H-1,2,4-triazol-5-amine

: 1435464-72-4
2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Conditions

Conditions	Yield
Stage #1: 3,3-bis(ethyloxy)propanenitrile; 3-methyl-1H-1,2,4-triazol-5-amine With hydrogenchloride In 1,4-dioxane Reflux; Stage #2: With potassium hydroxide In water at 20℃; Dimroth Rearrangement;	60%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 57597-64-5
7-diethylaminocoumarine-3-aldehyde

: 1312992-76-9
C17H16N2O3

Conditions

Conditions	Yield
With iron(III) chloride hexahydrate; acetic acid In ethanol at 90℃; for 5h;	59.3%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 7570-45-8
N-ethyl-3-carbazolealdehyde

: (E)-3-(9-ethyl-9H-carbazol-3-yl)-2-formylacrylonitrile

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 60℃;	58%

: 869066-99-9
1-amino-1H-pyrrole-2,4-dicarboxylic acid diethyl ester

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 779345-24-3
3-cyano-4-hydroxy-pyrrolo[-1,2-b]pyridazine-6-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Stage #1: 1-amino-1H-pyrrole-2,4-dicarboxylic acid diethyl ester; 3,3-bis(ethyloxy)propanenitrile With toluene-4-sulfonic acid at 125℃; for 3h; Stage #2: With 1,8-diazabicyclo[5.4.0]undec-7-ene at 20 - 80℃; for 2h;	50%
With 1,8-diazabicyclo[5.4.0]undec-7-ene; toluene-4-sulfonic acid In ethanol at 80 - 125℃; for 5h;	50%

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 41365-75-7
aminopropane diethyl acetal

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether for 16h; Ambient temperature;	49%
With lithium aluminium tetrahydride

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 17356-08-0
thiourea

: 333-49-3
2-thiocytosine

Conditions

Conditions	Yield
With sodium In butan-1-ol at 40 - 50℃; for 5h; Inert atmosphere;	48%
With sodium butanolate

: 628733-99-3
ethyl 1-amino-1H-pyrrole-2-carboxylate

: 2032-34-0
3,3-bis(ethyloxy)propanenitrile

: 1263419-99-3
4-hydroxypyrrolo[1,2-b]pyridazine-3-carbonitrile

Conditions

Conditions	Yield
Stage #1: ethyl 1-amino-1H-pyrrole-2-carboxylate; 3,3-bis(ethyloxy)propanenitrile With hydrogenchloride In ethanol; water for 18h; Reflux; Stage #2: With 1,8-diazabicyclo[5.4.0]undec-7-ene In ethanol; water at 80℃; for 1h; Stage #3: With hydrogenchloride In water pH=1;	47%
Stage #1: ethyl 1-amino-1H-pyrrole-2-carboxylate; 3,3-bis(ethyloxy)propanenitrile With hydrogenchloride In ethanol; water for 18h; Reflux; Stage #2: With 1,8-diazabicyclo[5.4.0]undec-7-ene In ethanol; water at 20℃; for 1h; Reflux;	47%

3,3-Diethoxypropionitrile Specification

The Propanenitrile,3,3-diethoxy-, with the CAS registry number 2032-34-0, is also known as 1,1-Diethoxy-2-cyanoethane. It belongs to the product categories of C6 to C7; Cyanides/Nitriles; Nitrogen Compounds. Its EINECS registry number is 217-988-6. This chemical's molecular formula is C₇H₁₃NO₂ and molecular weight is 143.18. What's more, both its IUPAC name and systematic name are the same which is called 3,3-Diethoxypropanenitrile. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Propanenitrile,3,3-diethoxy- are: (1)ACD/LogP: 1.078; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.89; (6)ACD/BCF (pH 7.4): 3.89; (7)ACD/KOC (pH 5.5): 91.96; (8)ACD/KOC (pH 7.4): 91.96; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 42.25 Å²; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 37.842 cm³; (15)Molar Volume: 150.567 cm³; (16)Polarizability: 15.002×10^-24cm³; (17)Surface Tension: 31.133 dyne/cm; (18)Density: 0.951 g/cm³; (19)Flash Point: 83.889 °C; (20)Enthalpy of Vaporization: 47.193 kJ/mol; (21)Boiling Point: 235.17 °C at 760 mmHg; (22)Vapour Pressure: 0.051 mmHg at 25 °C.

Uses of Propanenitrile,3,3-diethoxy-: it is used to produce other chemicals. For example, it can react with 4-(4,5-dimethyl-1,3-dithiol-2-ylidene)but-2-enal to get 6-(4,5-dimethyl-[1,3]dithiol-2-ylidene)-2-formyl-hexa-2,4-dienenitrile. This reaction needs reagent NaOMe and solvent tetrahydrofuran at ambient temperature. The reaction time is 3 days. The yield is 69 %.

Propanenitrile,3,3-diethoxy- can react with 4-(4,5-dimethyl-1,3-dithiol-2-ylidene)but-2-enal to get 6-(4,5-dimethyl-[1,3]dithiol-2-ylidene)-2-formyl-hexa-2,4-dienenitrile.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCC(OCC)OCC
(2) InChI: InChI=1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3
(3) InChIKey: WBOXEOCWOCJQNK-UHFFFAOYSA-N

Product Name

3,3-Diethoxypropionitrile

Synthetic route

3,3-Diethoxypropionitrile Specification

Related Products

Hot Products