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2079-89-2

Basic Information
CAS No.: 2079-89-2
Name: 3-AMINOPROPIONITRILE FUMARATE
Molecular Structure:
Molecular Structure of 2079-89-2 (3-AMINOPROPIONITRILE FUMARATE)
Formula: C3H6N2•2 C4H4O4
Molecular Weight: 302.27
Synonyms: TIMTEC-BB SBB008547;3-AMINOPROPIONITRILE FUMARATE;3-AMINOPROPIONITRILE FUMARATE SALT;BIS-(3-AMINOPROPIONITRILE) FUMARATE;BETA-AMINOPROPIONITRILE MONOFUMARATE;BETA-AMINOPROPIONITRILE MONOFUMARATE SALT;3-amino-propanenitril(e)-2-butenedioate(2:1);3-amino-propionitrilfumarate(2:1)
Density: g/cm3
Melting Point: 177 °C (dec.)(lit.)
Boiling Point: 355.5°Cat760mmHg
Flash Point: 183°C
Solubility: almost transparency
Appearance: WHITE CRYSTALLINE POWDER
Hazard Symbols:
Risk Codes: 61
Safety: Moderately toxic by ingestion and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx and CN. See also NITRILES.
PSA: 124.41000
LogP: 0.27088
Synthetic route
24424-99-5

di-tert-butyl dicarbonate

2079-89-2

β-aminopropionitrile monofumarate salt

53588-95-7

3-<(tert-butoxycarbonyl)amino>propionitrile

Conditions
ConditionsYield
With triethylamine In dichloromethane for 12h; Heating;96%
With sodium hydroxide In diethyl ether; water for 12h;91%
2079-89-2

β-aminopropionitrile monofumarate salt

501-53-1

benzyl chloroformate

18877-96-8

3-<<(benzyloxy)carbonyl>amino>propionitrile

Conditions
ConditionsYield
With sodium hydroxide for 0.5h; Ambient temperature;82%
With sodium hydroxide In diethyl ether; water for 4h;35.0 g
With sodium hydroxide In diethyl ether; water for 2h; pH=10;
2079-89-2

β-aminopropionitrile monofumarate salt

98-59-9

p-toluenesulfonyl chloride

2619-22-9

N-(β-cyanoethyl)-p-toluenesulfonamide

Conditions
ConditionsYield
With sodium hydroxide In water; ethyl acetate pH=10;78%
104568-68-5

1-(4-fluorophenyl)-5-methyl-1,4-hexanedione

2079-89-2

β-aminopropionitrile monofumarate salt

104568-69-6

2-<2-(4-fluorophenyl)-5-(1-methylethyl)-1H-pyrrol-1-yl>-1-cyanoethane

Conditions
ConditionsYield
With toluene-4-sulfonic acid In acetic acid for 8h; Heating;73%
2108-54-5

1-(4-methoxyphenyl)pentane-1,4-dione

2079-89-2

β-aminopropionitrile monofumarate salt

123184-27-0

3-[2-(4-Methoxy-phenyl)-5-methyl-pyrrol-1-yl]-propionitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In acetic acid for 8h; Heating;
53842-12-9

1-(p-chlorophenyl)-1,4-pentanedione

2079-89-2

β-aminopropionitrile monofumarate salt

123184-28-1

3-[2-(4-Chloro-phenyl)-5-methyl-pyrrol-1-yl]-propionitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In acetic acid for 8h; Heating;
61771-79-7

1-cyclohexyl-1,4-pentanedione

2079-89-2

β-aminopropionitrile monofumarate salt

123184-34-9

3-(2-Cyclohexyl-5-methyl-pyrrol-1-yl)-propionitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In acetic acid for 8h; Heating;
70353-45-6

1-norborn-5-en-2-yl-pentane-1,4-dione

2079-89-2

β-aminopropionitrile monofumarate salt

123184-35-0

3-(2-Bicyclo[2.2.1]hept-5-en-2-yl-5-methyl-pyrrol-1-yl)-propionitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In acetic acid for 8h; Heating;
63472-37-7

1-([1,1'-biphenyl]-4-yl)pentane-1,4-dione

2079-89-2

β-aminopropionitrile monofumarate salt

123184-26-9

3-(2-Biphenyl-4-yl-5-methyl-pyrrol-1-yl)-propionitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In acetic acid for 8h; Heating;
123184-08-7

3,8-Diethyl-decane-4,7-dione

2079-89-2

β-aminopropionitrile monofumarate salt

123184-50-9

3-[2,5-Bis-(1-ethyl-propyl)-pyrrol-1-yl]-propionitrile

Conditions
ConditionsYield
With toluene-4-sulfonic acid In acetic acid for 8h; Heating;
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Toxicity Data With Reference

1.   

orl-rat LDLo:800 mg/kg

    TJADAB    Teratology, A Journal of Abnormal Development. 5 (1972),33.
2.   

ipr-mus LD50:5362 mg/kg

    EMPSAL    Experimental and Molecular Pathology, Supplement. 39 (1983),154.
3.   

orl-ham LD50:5000 mg/kg

    TJADAB    Teratology, A Journal of Abnormal Development. 14 (1976),43.

Consensus Reports

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx and CN. See also NITRILES.