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2407-68-3

Basic Information
CAS No.: 2407-68-3
Name: 3-(DIMETHYLAMINO)ACRYLONITRILE
Article Data: 26
Molecular Structure:
Molecular Structure of 2407-68-3 (3-(DIMETHYLAMINO)ACRYLONITRILE)
Formula: C5H8N2
Molecular Weight: 96.1319
Synonyms: Acrylonitrile,3-(dimethylamino)- (7CI,8CI);3-(Dimethylamino)acrylonitrile;NSC 127942;b-(Dimethylamino)acrylonitrile;
EINECS: 219-305-7
Density: 0.912 g/cm3
Boiling Point: 277.6 °C at 760 mmHg
Flash Point: 131.9 °C
Appearance: clear yellow liquid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 27.03000
LogP: 0.58528
Synthetic route
4637-24-5

N,N-dimethyl-formamide dimethyl acetal

372-09-8

cyanoacetic acid

2407-68-3

3-dimethylaminoacrylonitrile

Conditions
ConditionsYield
In 1,4-dioxane at 80℃; for 2h;100%
In 1,4-dioxane at 20 - 90℃; for 16h;
21511-55-7, 34643-89-5

(methoxymethylidene)dimethylammonium methyl sulfate

1071-36-9

sodium cyanoacetate

2407-68-3

3-dimethylaminoacrylonitrile

Conditions
ConditionsYield
In ethanol at 30℃; for 10h; Temperature; Solvent;97.4%
1070-71-9

propiolonitrile

124-40-3

dimethyl amine

2407-68-3

3-dimethylaminoacrylonitrile

Conditions
ConditionsYield
In water at 20℃; for 20h;94%
34644-27-4

2-dimethylamino-2-ethoxy-1-cyanoethylene

2407-68-3

3-dimethylaminoacrylonitrile

Conditions
ConditionsYield
With platinum on carbon; hydrogen In ethanol at 50℃; under 30003 Torr; for 16h; Autoclave;65%
With platinum on carbon; hydrogen
372-09-8

cyanoacetic acid

2-aza-1,3-bis(dimethylamino)-3-methoxy-1-propen

A

2407-68-3

3-dimethylaminoacrylonitrile

B

4-aza-5-dimethylamino-2,4-pentadienenitrile

Conditions
ConditionsYield
In benzene 80 deg C, then 105 deg C, 2 h;A n/a
B 8%
In benzene 80 deg C, then 105 deg C, 2 h; Title compound not separated from byproducts;
3721-37-7

cis-β-chloroacrylonitrile

124-40-3

dimethyl amine

2407-68-3

3-dimethylaminoacrylonitrile

Conditions
ConditionsYield

2-aza-1,3-bis(dimethylamino)-3-methoxy-1-propen

75-05-8

acetonitrile

A

2407-68-3

3-dimethylaminoacrylonitrile

B

4-aza-5-dimethylamino-2,4-pentadienenitrile

Conditions
ConditionsYield
for 120h; Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
73233-19-9

MeCN*HCl

4637-24-5

N,N-dimethyl-formamide dimethyl acetal

2407-68-3

3-dimethylaminoacrylonitrile

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 110℃; for 9h;
21511-55-7, 34643-89-5

(methoxymethylidene)dimethylammonium methyl sulfate

372-09-8

cyanoacetic acid

2407-68-3

3-dimethylaminoacrylonitrile

Conditions
ConditionsYield
Stage #1: (methoxymethylidene)dimethylammonium methyl sulfate; cyanoacetic acid In ethanol at 5 - 40℃;
Stage #2: With sodium hydroxide In water-d2 pH=8;
Stage #3: In toluene at 5 - 50℃; Temperature; pH-value; Irradiation;
124-40-3

dimethyl amine

107-13-1

acrylonitrile

2407-68-3

3-dimethylaminoacrylonitrile

Conditions
ConditionsYield
at 120℃; under 225.023 Torr; Temperature; Pressure; Cooling with ice;
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Specification

The 2-Propenenitrile,3-(dimethylamino)-, with the CAS registry number 2407-68-3, is also known as N,N-Dimethylaminoacrylonitrile. Its EINECS registry number is 219-305-7. This chemical's molecular formula is C5H8N2 and molecular weight is 96.13042. Its IUPAC name is called (Z)-3-(dimethylamino)prop-2-enenitrile. This chemical is clear yellow liquid.

Physical properties of 2-Propenenitrile,3-(dimethylamino)-: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 5.5): 0.32; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.7; (6)ACD/KOC (pH 5.5): 26.25; (7)ACD/KOC (pH 7.4): 50.64; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.461; (11)Molar Refractivity: 28.9 cm3; (12)Molar Volume: 105.3 cm3; (13)Surface Tension: 32.9 dyne/cm; (14)Density: 0.912 g/cm3; (15)Flash Point: 131.9 °C; (16)Enthalpy of Vaporization: 51.62 kJ/mol; (17)Boiling Point: 277.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00448 mmHg at 25°C.

Uses of 2-Propenenitrile,3-(dimethylamino)-: it can be used to produce 2-dimethylamino-2H-chromene-3-carbonitrile by heating. This reaction will need reagent p-Toluenesulfonic acid and solvent toluene with reaction time of 15 hours. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C=CC#N
(2)Isomeric SMILES: CN(C)/C=C\C#N
(3)InChI: InChI=1S/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3/b5-3-
(4)InChIKey: ZKKBIZXAEDFPNL-HYXAFXHYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 946mg/kg (946mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 15(Suppl,