Conditions | Yield |
---|---|
With nickel(II) chloride dihydrate In acetonitrile at 80℃; Molecular sieve; Inert atmosphere; | 100% |
With oxalyl dichloride; Triphenylphosphine oxide In chloroform-d1 at 20℃; for 1h; | 99% |
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In tetrahydrofuran; ethyl acetate at 20℃; Beckmann rearrangement; Inert atmosphere; | 95% |
Conditions | Yield |
---|---|
With copper(I) chloride; 4 A molecular sieve; oxygen In pyridine at 60℃; for 24h; | 96% |
With potassium hydroxide; nickel copper formate; (Bu4N)2S2O8 In 1,2-dichloro-ethane at 20℃; for 10h; Oxidation; | 92% |
With potassium hydroxide In water at 30℃; for 4h; electrolysis at a Ni(OH)2 anode and a steel cathode, current - 2 A, cell voltage - 2.0 V; | 90% |
Conditions | Yield |
---|---|
With aluminum oxide; hydroxylamine hydrochloride; methanesulfonyl chloride at 100℃; for 0.75h; | 95% |
With ammonium hydroxide; N-Bromosuccinimide at 0℃; for 0.166667h; | 94% |
With hydroxylamine hydrochloride; methanesulfonyl chloride In neat (no solvent) at 70℃; for 2h; | 91% |
butanamide
triphenylphosphine
A
propyl cyanide
B
Triphenylphosphine oxide
Conditions | Yield |
---|---|
With aluminum oxide; LutClO4 In dichloromethane constant current electrolysis; | A 95% B n/a |
Conditions | Yield |
---|---|
With aluminum oxide; methanesulfonyl chloride at 100℃; for 0.0833333h; | 95% |
With N,N-dimethyl-formamide at 135℃; for 48h; | 76% |
Conditions | Yield |
---|---|
With nitrogen; ammonia at 240℃; Catalytic behavior; Heating; | 94% |
With ammonia at 230℃; Inert atmosphere; | 86% |
With potassium hydroxide; ammonium bicarbonate; (Bu4N)2S2O8; copper(II) formate; nikel(II) formate In isopropyl alcohol at 25℃; for 2h; | 85% |
Conditions | Yield |
---|---|
With ammonia at 220℃; for 40h; Autoclave; | 94% |
valeraldoxime
anthranilic acid nitrile
A
propyl cyanide
B
anthranilic acid amide
Conditions | Yield |
---|---|
With linear poly(4-vinylpyridine) supported [Cp*IrCl2]2 complex by coordinative immobilization In tert-Amyl alcohol at 125℃; for 15h; Schlenk technique; Inert atmosphere; | A n/a B 93% |
Conditions | Yield |
---|---|
With ammonia; zinc(II) oxide at 420℃; | A 92.2% B n/a |
With ammonia; zinc(II) oxide at 340℃; Product distribution; 1:4 molar ratio n-butyl alcohol/NH3, other temperature (300-420 deg C), other catalyst (oxidized form of SMS-4 Zn-Cr-O);; | A 86.7% B 6% |
Conditions | Yield |
---|---|
With lead acetate In dichloromethane for 12h; Catalytic behavior; Solvent; Reagent/catalyst; Time; Reflux; | 92% |
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane for 6h; Ambient temperature; | 70% |
With phosphorus pentoxide |
Conditions | Yield |
---|---|
With oxygen In para-xylene at 110℃; for 1h; | A 10% B 90% |
Conditions | Yield |
---|---|
With nickel In tetrahydrofuran at 20℃; for 12h; | 85% |
butanethioamide
benzyl chloride
A
propyl cyanide
B
dibenzyl sulfide
Conditions | Yield |
---|---|
With sodium hydroxide; tetrabutylammomium bromide In water; benzene at 30℃; for 2h; Product distribution; | A 75% B 80% |
Conditions | Yield |
---|---|
With bis(acetylacetonate)oxovanadium In tetrachloromethane at 150℃; for 6h; Autoclave; | 80% |
butyraldehyde oxime
dimethylbromosulphonium bromide
A
propyl cyanide
B
dimethyl sulfoxide
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 4h; | A 76% B n/a |
Conditions | Yield |
---|---|
With sodium tetrahydroborate In pyridine; methanol at 120℃; for 2h; | 75% |
With Amberlite IRA-400; borohydride form; copper(II) sulfate; cyclohexene In methanol at 20℃; for 1h; Reduction; | 99 % Chromat. |
With triethylsilane; sulfuric acid; 5%-palladium/activated carbon In tetrahydrofuran at 20℃; for 16h; | 67 %Spectr. |
With 1,2,3-trimethoxybenzene; hydrogen In ethyl acetate at 20℃; under 750.075 Torr; Flow reactor; Green chemistry; chemoselective reaction; | 99 %Spectr. |
Conditions | Yield |
---|---|
With nickel In tetrahydrofuran for 15h; Heating; | 75% |
butanal N,N-dimethylhydrazone
propyl cyanide
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 4h; | 71% |
1-aminocyclobutane-1-carboxylic acid
A
propyl cyanide
B
3,4-dehydro-L-proline
Conditions | Yield |
---|---|
With ammonium hydroxide; [CuII(2,2'-bipyridine)(1-aminocyclobutane-1-carboxylic acid(H-))]ClO4*H2O; dihydrogen peroxide In water; N,N-dimethyl-formamide at 35℃; Kinetics; Overall yield = 20 %; | A 33% B 67% |
Conditions | Yield |
---|---|
phenol In benzene at 35 - 50℃; for 16h; | 52% |
Conditions | Yield |
---|---|
With potassium hydroxide at 90℃; under 0.0750075 Torr; | A 7% B 51% |
Conditions | Yield |
---|---|
With potassium carbonate; dibenzo-18-crown-6 In benzene for 5h; Heating; | 46% |
N-butylamine
A
propyl cyanide
B
(butylidene)butylamine
C
butyraldehyde
Conditions | Yield |
---|---|
With oxygen In water at 225℃; under 750.075 Torr; for 1h; Catalytic behavior; Mechanism; Time; Concentration; Flow reactor; | A 34% B n/a C n/a |
Conditions | Yield |
---|---|
With sulfuric acid; hydroxylamine-O-sulfonic acid; iron(II) sulfate In water at 80℃; for 2h; | A 30% B 0.1% |
Conditions | Yield |
---|---|
With C26H41Br2FeNP2; hydrogen; potassium hexamethylsilazane; sodium triethylborohydride In tetrahydrofuran at 140℃; under 45004.5 Torr; for 36h; High pressure; Autoclave; | A 19% B 66 %Chromat. |
but-2-enenitrile
A
propyl cyanide
B
2-aminobutyronitrile
C
2,3-Diethylsuccinodinitril
Conditions | Yield |
---|---|
With ammonia for 3h; Irradiation; | A 6% B 4.5% C 6% |
1-cyano-propane-1-carboxylic acid
A
propyl cyanide
B
methylammonium carbonate
Conditions | Yield |
---|---|
beim Erhitzen; |
Conditions | Yield |
---|---|
With nickel at 360 - 380℃; |
propyl cyanide
5‐propyl‐1H‐1,2,3,4‐tetrazole
Conditions | Yield |
---|---|
With sodium azide; triethylamine hydrochloride In toluene at 110℃; for 16h; Inert atmosphere; | 100% |
With sodium azide; triethylamine hydrochloride In toluene at 110℃; for 16h; Inert atmosphere; | 100% |
With sodium azide; triethylamine hydrochloride In N,N-dimethyl-formamide at 130℃; for 4h; Microwave irradiation; Inert atmosphere; | 95% |
Conditions | Yield |
---|---|
With manganese(IV) oxide; silica gel In hexane for 16h; Heating; | 100% |
With potassium hydroxide In water; dimethyl sulfoxide at 60℃; for 8h; High pressure; Green chemistry; | 99.9% |
With [2,2]bipyridinyl; water; palladium diacetate at 70℃; for 24h; Catalytic behavior; Mechanism; Temperature; Reagent/catalyst; Schlenk technique; Sealed tube; | 97% |
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol at 20℃; for 29h; | 100% |
With palladium 10% on activated carbon; ammonium acetate; hydrogen In methanol at 20℃; under 760.051 Torr; for 29h; | 82% |
propyl cyanide
para-methoxynitrobenzene
A
N-butyl-4-methoxyaniline
B
N,N-dibutyl-4-methoxylaniline
Conditions | Yield |
---|---|
Stage #1: para-methoxynitrobenzene With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; Stage #2: propyl cyanide In methanol; water | A 100% B n/a |
Conditions | Yield |
---|---|
Stage #1: 2-Nitroanisole With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; Stage #2: propyl cyanide In methanol; water | 100% |
propyl cyanide
1-methyl-3-nitrobenzene
A
N-butyl-m-toluidine
B
N-butyl-N-(3-methyl-n-propyl)-m-toluidine
Conditions | Yield |
---|---|
Stage #1: 1-methyl-3-nitrobenzene With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; Stage #2: propyl cyanide In methanol; water | A 100% B n/a |
propyl cyanide
1-methyl-4-nitrobenzene
A
N,N-dibutyl-4-methylaniline
B
N-butyl-4-methylaniline
Conditions | Yield |
---|---|
Stage #1: 1-methyl-4-nitrobenzene With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; Stage #2: propyl cyanide In methanol; water | A n/a B 100% |
Conditions | Yield |
---|---|
Stage #1: 1-methyl-2-nitrobenzene With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; for 4.5h; Stage #2: propyl cyanide In methanol; water | 100% |
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; for 4.5h; | 100% |
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; for 3.5h; | 100% |
propyl cyanide
p-toluidine
A
N,N-dibutyl-4-methylaniline
B
N-butyl-4-methylaniline
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; for 5.5h; | A n/a B 100% |
propyl cyanide
4-methoxy-aniline
A
N-butyl-4-methoxyaniline
B
N,N-dibutyl-4-methoxylaniline
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; for 3.9h; | A 100% B n/a |
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; for 8.6h; | A 100% B n/a |
propyl cyanide
1-amino-3-methylbenzene
A
N-butyl-m-toluidine
B
N-butyl-N-(3-methyl-n-propyl)-m-toluidine
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; for 2.5h; | A 100% B n/a |
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; | 100% |
propyl cyanide
di-tert-butyl dicarbonate
2-cyanobutyric acid tert-butyl ester
Conditions | Yield |
---|---|
Stage #1: propyl cyanide With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; for 1h; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran at -78℃; for 2.5h; Inert atmosphere; | 100% |
Stage #1: propyl cyanide With lithium diisopropyl amide In tetrahydrofuran; hexane at -78 - 20℃; for 1h; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran; hexane at -78℃; for 2h; | |
Stage #1: propyl cyanide With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; for 1.5h; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran at -78℃; for 16h; |
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; ammonium acetate; hydrogen In methanol at 20℃; under 760.051 Torr; for 31h; | 100% |
Conditions | Yield |
---|---|
Stage #1: hydrogen fluoride; antimony pentafluoride at -196 - 20℃; Sealed tube; Stage #2: propyl cyanide at -196 - 20℃; for 0.5h; Sealed tube; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
Stage #1: hydrogen fluoride; antimony pentafluoride at -196 - 20℃; Sealed tube; Stage #2: propyl cyanide at -196 - 20℃; for 0.5h; Sealed tube; Inert atmosphere; | 100% |
propyl cyanide
Conditions | Yield |
---|---|
With arsenic pentafluoride; hydrogen fluoride at -196 - 20℃; for 0.5h; Sealed tube; | 100% |
Conditions | Yield |
---|---|
at -196 - -64℃; for 0.166667h; Sealed tube; | 100% |
propyl cyanide
Conditions | Yield |
---|---|
With arsenic pentafluoride at -196 - -64℃; for 0.166667h; Sealed tube; | 100% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate In water; dimethyl sulfoxide at 60℃; for 4.5h; High pressure; Green chemistry; | 99.9% |
With sodium tetrahydroborate; nickel; sodium hydroxide In methanol; water at 30 - 60℃; | 93% |
With [DBUH(+)][C4H9COO(-)]; water; potassium formate at 70℃; for 3h; Ionic liquid; | 82% |
Conditions | Yield |
---|---|
With potassium carbonate In water; dimethyl sulfoxide at 60℃; for 8h; High pressure; Green chemistry; | 99.9% |
Stage #1: propyl cyanide With diisobutylaluminium hydride In toluene at -20℃; for 0.222222h; Flow reactor; Stage #2: With water; sodium L-tartrate In toluene at 0℃; chemoselective reaction; | 64% |
With Diisobutylaluminium hydride(1 M solution in tetrahydrofuran, 4.9 mL, 4.9 mmol) In dichloromethane at -78℃; for 1h; |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; nickel dichloride In methanol at 0 - 20℃; Reduction; | 99% |
Conditions | Yield |
---|---|
Stage #1: propyl cyanide With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.166667h; Stage #2: bromopentene In tetrahydrofuran; hexane at -78 - 20℃; for 1h; Further stages.; | 99% |
Stage #1: propyl cyanide With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h; Stage #2: bromopentene In tetrahydrofuran | 99% |
With lithium diisopropyl amide In tetrahydrofuran at -78℃; | 99% |
propyl cyanide
cis-bis(n-butyronitrile)dichloroplatinum(II)
Conditions | Yield |
---|---|
In not given excess nitrile; | 99% |
tetrahydrofuran
propyl cyanide
cyclopentadienylmanganese tricarbonyl
((CH3)5C5)Mn(CO)2(NCC3H7)
Conditions | Yield |
---|---|
In tetrahydrofuran Irradiation (UV/VIS); Ar-atmosphere; irradn. (120 W Hg lamp, 1 h, stirring, 3°C), nitrile addn., stirring (room temp., 4 h, dark); evapn.; | 99% |
Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.
NIOSH REL: (Nitriles) TWA 22 mg/m3
DOT Classification: 3; Label: Flammable Liquid, Poison
The IUPAC name of this chemical is Butyronitrile, and its cas register number is 109-74-0. This is a kind of colorless liquid, and is complete soluble in alcohol, ether, dimethylformamide, while insoluble in water. As to its product categories, there are many, such as organics. This is combustible and you should keep it in the inflammables area, away from the substance, such as strong acids, strong bases, strong oxidizing agents and strong reducing agents.
The characteristics of this chemical are as following: (1)XLogP3: 0.5; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 1; (4)Exact Mass: 69.057849; (5)MonoIsotopic Mass: 69.057849; (6)Topological Polar Surface Area: 23.8; (7)Heavy Atom Count: 5; (8)Complexity: 47.9; (9)Covalently-Bonded Unit Count: 1; (10)Index of Refraction: 1.382; (11)Molar Refractivity: 20.49 cm3; (12)Molar Volume: 87.9 cm3; (13)Polarizability: 8.12 ×10-24 cm3; (14)Surface Tension: 26.5 dyne/cm; (15)Density: 0.785 g/cm3; (16)Flash Point: 16.7 °C; (17)Enthalpy of Vaporization: 33.68 kJ/mol; (18)Boiling Point: 117.3 °C at 760 mmHg; (19)Vapour Pressure: 17.5 mmHg at 25°C.
Use of Butyronitrile: Butyronitrile could react with phosphorochloridic acid diethyl ester to produce (1-cyano-propyl)-phosphonic acid diethyl ester, in the following condtion: reagent: LDA, aq. HCl; solvent: tetrahydrofuran, hexane; reaction temp.: -78//-78 - 0 ℃; reaction time: 30 min//15 min; field: 98%.
Producing method of Butyronitrile: 4-methyl-quinoline could react to produce Benzo(e)pyrene and 1-(4-methyl-quinolin-2-yl)-butan-1-ol, in the following condtion: reagent: conc. H2SO4, hydroxylamine-O-sulphonic acid; solvent: H2O; catalytic agent: FeSO4.7H2O; reaction time: 2 hours; reaction temp.: 80℃; field: 0.1%.
Following are the usage information: It could be used in the organic synthesis material, solvent, and pharmaceutic intermediate, and also in the fined chemicals; It could also be the important material in synthesis of chemicals.
When you are dealing with this chemical, you should be very cautious. This is a kind of toxic chemical, and it may at low levels cause damage to health; And it is also flammable. What's more, if by inhalation, in contact with skin and if swallowed, people will be hurt seriously. So you had better take the following instructions while using. Wear suitable protectible clothes and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible)
Additionally, you could obtain the molecular structure through converting the following datas:
Canonical SMILES: CCCC#N
InChI: InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
InChIKey: KVNRLNFWIYMESJ-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | oral | 20mg/kg (20mg/kg) | Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969. | |
frog | LDLo | subcutaneous | 3100mg/kg (3100mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: TREMOR | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899. |
guinea pig | LDLo | skin | 100mg/kg (100mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
guinea pig | LDLo | subcutaneous | 100mg/kg (100mg/kg) | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911. | |
mouse | LC50 | inhalation | 249ppm/1H (249ppm) | LIVER: OTHER CHANGES | Clinical Toxicology. Vol. 18, Pg. 991, 1981. |
mouse | LD50 | intraperitoneal | 38mg/kg (38mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toxicology and Applied Pharmacology. Vol. 59, Pg. 589, 1981. |
mouse | LD50 | oral | 27689ug/kg (27.689mg/kg) | Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984. | |
rabbit | LD50 | skin | 500uL/kg (0.5mL/kg) | Union Carbide Data Sheet. Vol. 5/17/1960, | |
rabbit | LDLo | intravenous | 980mg/kg (980mg/kg) | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911. | |
rabbit | LDLo | oral | 50mg/kg (50mg/kg) | Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969. | |
rabbit | LDLo | subcutaneous | 10mg/kg (10mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899. |
rat | LCLo | inhalation | 1000ppm/4H (1000ppm) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
rat | LD50 | intraperitoneal | 50mg/kg (50mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4873, 1982. |
rat | LD50 | oral | 50mg/kg (50mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION LUNGS, THORAX, OR RESPIRATION: DYSPNEA | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4873, 1982. |
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