Conditions | Yield |
---|---|
With magnesium hydroxide; dihydrogen peroxide In propan-1-ol; water at 80℃; under 5250.53 Torr; | 95.5% |
With ammonium hydroxide; dihydrogen peroxide In methanol at 70℃; under 760.051 Torr; Green chemistry; chemoselective reaction; | 97 %Chromat. |
Conditions | Yield |
---|---|
With diethyl ether anschliessend Behandeln mit Wasser; |
Conditions | Yield |
---|---|
at 125 - 130℃; | |
beim Erhitzen; |
Conditions | Yield |
---|---|
With oxygen; nitric acid in der Gasphase; | |
With nitric acid; chlorine in der Gasphase; | |
With bromine; oxygen; nitric acid in der Gasphase; | |
With oxygen; nitric acid; chlorine in der Gasphase; |
Conditions | Yield |
---|---|
With nitric acid at 400℃; | |
With Nitrogen dioxide at 250 - 795℃; | |
With Nitrogen dioxide at 250℃; | |
With nitric acid In water at 285℃; under 72402.6 Torr; Product distribution / selectivity; |
Conditions | Yield |
---|---|
With silver(I) nitrite |
Conditions | Yield |
---|---|
With silver(I) nitrite | |
With poly(N-ethyl-4-vinylpyridinium)nitrite In hexane at 20℃; for 43h; |
Conditions | Yield |
---|---|
With silver(I) nitrite |
Conditions | Yield |
---|---|
With tetrahydrofuran; diethyl ether; Trimethyl borate; sodium at -70℃; |
Conditions | Yield |
---|---|
With nitric acid at 375℃; |
diethyl phosphorylchloridite
aci-1-nitropropane sodium salt
A
(1-nitro-propyl)-phosphonous acid diethyl ester
B
1-Nitropropane
Conditions | Yield |
---|---|
In diethyl ether |
propane
A
i-propyl nitrite
B
n-propyl nitrite
C
isopropyl nitrate
D
propyl nitrate
E
2-nitropropane
F
1-Nitropropane
Conditions | Yield |
---|---|
With dihydrogen peroxide; Nitrogen dioxide at 24.9℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various pressure and carrier-gas composition; | A 12 % Chromat. B 7 % Chromat. C 16 % Chromat. D 5 % Chromat. E 46 % Chromat. F 14 % Chromat. |
propane
A
i-propyl nitrite
B
isopropyl nitrate
C
propyl nitrate
D
2-nitropropane
E
1-Nitropropane
F
acetone
Conditions | Yield |
---|---|
With dihydrogen peroxide; oxygen; Nitrogen dioxide at 24.9℃; under 300.02 Torr; Rate constant; Product distribution; Mechanism; boric-acid-coated surface; various O2 concn.; |
Cyclopentane
A
formic acid
B
ethene
C
1-nitrobutane
D
1-Nitropropane
E
nitrocyclopentane
Conditions | Yield |
---|---|
With Nitrogen dioxide; sulphur hexafluoride for 0.0166667h; Product distribution; Irradiation; CO2 laser irradiation; products investigated on different reaction conditions; products identified with IR and MS spectra; further cycloalkanes measured; |
Conditions | Yield |
---|---|
With potassium nitrate; sodium nitrite at 150℃; Yield given; | |
With potassium nitrate; sodium nitrite Thermodynamic data; Heating; E; |
1-Nitropropane
Conditions | Yield |
---|---|
With sodium nitrite |
Conditions | Yield |
---|---|
With alkali nitrite | |
With alkaline earth nitrite |
Conditions | Yield |
---|---|
Product distribution; |
Conditions | Yield |
---|---|
Product distribution; |
butyric acid
A
isopropyl nitrate
B
hexane
C
isopropyl butyrate
D
1-Nitropropane
Conditions | Yield |
---|---|
Elektrolyse von Natriumbutyrat; Produkt5: Essigsaeure; Produkt6: Propionsaeure; Produkt7: Glycerin-nitrat(?); und andere Produkten; |
nitric acid
n-butane
A
Nitroethane
B
nitromethane
C
1-nitrobutane
D
1-Nitropropane
Conditions | Yield |
---|---|
at 370 - 450℃; in der Gasphase; |
nitric acid
pentane
A
Nitroethane
B
nitromethane
C
1-nitrobutane
D
1-Nitropropane
Conditions | Yield |
---|---|
at 400℃; bei der Nitrierung enstehen noch: 1-Nitro-pentan,2-Nitro-pentan,3-Nitro-pentan und Aethylen,Propylen und Buten-(1); | |
at 400℃; bei der Nitrierung enstehen noch: 1-Nitro-pentan,2-Nitro-pentan,3-Nitro-pentan; |
tetrahydrofuran
(E)-1-nitroprop-1-ene
diethyl ether
A
2-methyl-1,3-dinitro-pentane
B
1-Nitropropane
Conditions | Yield |
---|---|
at -70℃; |
tetrahydrofuran
(E)-1-nitroprop-1-ene
diethyl ether
A
2-methyl-1,3-dinitro-pentane
B
1-Nitropropane
Conditions | Yield |
---|---|
at -70℃; |
Dipropyl ether
nitric acid
A
Nitroethane
B
nitromethane
C
1-Nitropropane
Conditions | Yield |
---|---|
at 400℃; |
propionaldehyde oxime
A
propionohydroxamic acid
B
1-Nitropropane
propane
nitric acid
A
Nitroethane
B
nitromethane
C
2-nitropropane
D
1-Nitropropane
Conditions | Yield |
---|---|
at 250 - 795℃; in der Gasphase meist bei ca.400grad; weitere Produkte: Aethylen und Propylen; | |
at 250 - 795℃; in der Gasphase meist bei ca.400grad; | |
at 250 - 795℃; in der Gasphase meist bei ca.400grad; weitere Produkte: Propylalkohol und Isopropylalkohol; | |
at 410℃; under 5884.06 - 8826.09 Torr; |
propane
A
Nitroethane
B
nitromethane
C
2-nitropropane
D
1-Nitropropane
Conditions | Yield |
---|---|
at 250 - 795℃; in der Gasphase meist bei ca.400grad; | |
at 250 - 795℃; in der Gasphase meist bei ca.400grad; weitere Produkte: Aethylen und Propylen; | |
at 250 - 795℃; in der Gasphase meist bei ca.400grad; weitere Produkte: Propylalkohol und Isopropylalkohol; |
dibutyl ether
nitric acid
A
Nitroethane
B
nitromethane
C
1-nitrobutane
D
1-Nitropropane
Conditions | Yield |
---|---|
at 400℃; durch ein Glasrohr;Produkt 5:Butyl-nitrobutyl-aether; |
Conditions | Yield |
---|---|
With P(i-PrNCH2CH2)3N; magnesium sulfate for 1.25h; Ambient temperature; | 99% |
With tetrabutyl ammonium fluoride; tert-butyldimethylsilyl chloride; triethylamine In tetrahydrofuran for 0.0833333h; | 92% |
With Amberlyst A-21 for 10h; | 84% |
Yield given. Multistep reaction; | |
With potassium hydrogencarbonate |
1-Nitropropane
4-methylbenzaldehyde N-(tert-butoxycarbonyl)imine
tert-butyl (1R,2S)-2-nitro-1-p-tolylpropylcarbamate
Conditions | Yield |
---|---|
With N-((1R,2R)-2-(3-((1R,2R)-2-(dimethylamino)cyclohexyl)thioureido)-1,2-diphenylethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide In acetonitrile at -20℃; Mannich reaction; Molecular sieve; | 99% |
Conditions | Yield |
---|---|
Stage #1: 1-Nitropropane With C19H20F2N2O4; Nd5O(OiPr)13; water; sodium hexamethyldisilazane In tetrahydrofuran at 0 - 20℃; Inert atmosphere; Stage #2: benzaldehyde In tetrahydrofuran at -40℃; for 20h; Inert atmosphere; optical yield given as %ee; diastereoselective reaction; | 99% |
methyl o-formylbenzoate
1-Nitropropane
3-(1-nitropropyl)-1(3H)-isobenzofuranone
Conditions | Yield |
---|---|
With potassium carbonate at 20℃; for 8h; Neat (no solvent); | 99% |
1-Nitropropane
tert-butyl N-(phenyl(phenylsulfonyl)methyl)carbamate
Conditions | Yield |
---|---|
With (S)-N-benzyl-2-(3-((S)-1-hydroxy-3-phenylpropan-2-yl)ureido)-N,N,3,3-tetramethylbutan-1-aminium bromide; potassium hydroxide In chloroform at -20℃; for 12h; Mannich Aminomethylation; stereoselective reaction; | 99% |
With C36H41N4O3(1+)*Br(1-); potassium hydroxide In chloroform at -20℃; for 12h; Mannich Aminomethylation; stereoselective reaction; | 95% |
Conditions | Yield |
---|---|
With hydrogen In ethanol at 109.84℃; under 18751.9 Torr; for 7.5h; Autoclave; Green chemistry; chemoselective reaction; | 99% |
3-nitro-benzaldehyde
1-Nitropropane
2-nitro-1-(3-nitro-phenyl)-butan-1-ol
Conditions | Yield |
---|---|
With N-benzyl-trimethylammonium hydroxide In tetrahydrofuran; water at 20℃; for 0.1h; | 98% |
With diethyl ether; sodium methylate | |
With triethylamine |
3-ethoxy-2-methyl-but-3-en-2-ol
1-Nitropropane
2-(5-Ethoxy-3-ethyl-4,5-dihydro-isoxazol-5-yl)-propan-2-ol
Conditions | Yield |
---|---|
With phenyl isocyanate; triethylamine In benzene | 98% |
1-methyl-3,6,8-trinitro-2-quinolone
1-Nitropropane
6,8-dinitro-1-methyl-4(1-nitropropyl)-2-quinolone
Conditions | Yield |
---|---|
With triethylamine In acetonitrile at 80℃; for 3h; regioselective reaction; | 98% |
N-(p-chlorobenzylidene)-p-toluenesulfonamide
1-Nitropropane
C17H19ClN2O4S
Conditions | Yield |
---|---|
With nanocrystalline magnesium oxide In N,N-dimethyl-formamide at 20℃; for 0.25h; aza-Henry reaction; | 98% |
1-Nitropropane
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene Aza-Henry Reaction; | 98% |
Conditions | Yield |
---|---|
With hydrogen at 100℃; under 7500.75 Torr; for 12h; Sealed tube; Autoclave; | 97% |
With sodium tetrahydroborate; nickel(II) chloride hexahydrate In water at 20℃; for 3h; Inert atmosphere; Green chemistry; | 96% |
Stage #1: 1-Nitropropane In water at 20℃; for 0.0166667h; Stage #2: With sodium tetrahydroborate In water at 50℃; for 0.133333h; | 95% |
Conditions | Yield |
---|---|
With P(i-PrNCH2CH2)3N; magnesium sulfate for 2.25h; Ambient temperature; | 97% |
With P(i-BuNCH2CH2)3N; magnesium sulfate at 25℃; for 2h; Henry reaction; | 96% |
With tetrabutyl ammonium fluoride; tert-butyldimethylsilyl chloride; triethylamine In tetrahydrofuran for 0.0833333h; | 90% |
Conditions | Yield |
---|---|
With aluminum oxide; potassium fluoride In tetrahydrofuran for 2h; | 97% |
ethyl 2-(2-oxoindolin-3-ylidene)cyanoacetate
1-Nitropropane
Conditions | Yield |
---|---|
With C26H36N4OS at -10℃; for 3h; Michael condensation; Neat (no solvent); optical yield given as %ee; enantioselective reaction; | A 97% B n/a |
Conditions | Yield |
---|---|
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen at 60℃; under 760.051 Torr; for 27h; | 97% |
Conditions | Yield |
---|---|
With sodium azide; ammonium acetate; acetic acid In N,N-dimethyl-formamide at 100℃; | 97% |
Stage #1: benzaldehyde With sodium azide; sodium hydrogen sulphite; sodium sulfite In dimethyl sulfoxide at 110℃; Inert atmosphere; Stage #2: 1-Nitropropane In dimethyl sulfoxide Inert atmosphere; | 50% |
1-Nitropropane
Conditions | Yield |
---|---|
With lithium methanolate In ethanol at 0 - 20℃; Inert atmosphere; | 97% |
2-hydrazinoquinoline
1-Nitropropane
1-ethyl-[1,2,4]triazolo[4,3-a]quinoline
Conditions | Yield |
---|---|
Stage #1: 1-Nitropropane With polyphosphoric acid at 130℃; Stage #2: 2-hydrazinoquinoline at 130℃; | 97% |
methyl crotonate
1-Nitropropane
methyl 3-methyl-4-nitrohexanoate
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In tetrahydrofuran at 30℃; under 10000 Torr; for 120h; | 96% |
With triethylamine In dichloromethane under 11250900 Torr; for 48h; Ambient temperature; | 95% |
Conditions | Yield |
---|---|
With aluminum oxide; potassium fluoride In tetrahydrofuran for 2h; | 96% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile Ambient temperature; | 77% |
With sodium methylate In methanol Heating; | 46% |
4-nitrobenzaldehdye
1-Nitropropane
2-nitro-1-(4-nitrophenyl)butan-1-ol
Conditions | Yield |
---|---|
With polymer supported 4-DMAP at 20℃; for 0.5h; Henry Nitro Aldol Condensation; | 96% |
With Streptorerticillium griseoverticillatum protein-glutamine γ-glutamyltransferase In dichloromethane; water at 30℃; for 72h; Henry reaction; Enzymatic reaction; optical yield given as %de; | 94% |
With polystyryl-diphenylphosphine-ethyl acrylate complex In neat (no solvent) at 20℃; for 3h; Henry Nitro Aldol Condensation; Green chemistry; | 94% |
dimethyl (Z)-2-(bromomethyl)fumarate
1-Nitropropane
(E)-1-ethyl-2,3-dimethoxycarbonyl buta-1,3-diene
Conditions | Yield |
---|---|
With sodium hydroxide In tetrahydrofuran at 20℃; for 4h; | 96% |
With sodium hydroxide In tetrahydrofuran at 20℃; for 2h; | 96% |
Conditions | Yield |
---|---|
With nanocrystalline magnesium oxide In N,N-dimethyl-formamide at 20℃; for 0.25h; aza-Henry reaction; | 96% |
Conditions | Yield |
---|---|
With copper(I) trifluoromethanesolfonate toluene complex; (+)-6,6'-(((1R,2R,4R,5R)-bicyclo[2.2.2]octane-2,5-diylbis(azanediyl))bis(methylene))bis(2,4-di-tert-butylphenol) In methanol at 40℃; for 24h; Henry Nitro Aldol Condensation; Molecular sieve; enantioselective reaction; | 96% |
methyl 2-oxo-2-phenylacetate
1-Nitropropane
Conditions | Yield |
---|---|
With tetrahydrofuran; 2-methyltetrahydrofuran; Nitroethane; neodymium(III) chloride hexahydrate; (S)-2-fluoro-N-(1-((4-fluoro-2-hydroxyphenyl)amino)-3,3-dimethyl-1-oxobutan-2-yl)-5-hydroxybenzamide; sodium t-butanolate at -78℃; for 48h; Kinetics; Reagent/catalyst; Aldol Addition; Inert atmosphere; stereoselective reaction; | 96% |
1-Nitropropane
propionic acid
Conditions | Yield |
---|---|
With acetic acid; zinc(II) iodide In toluene at 110℃; for 24h; Catalytic behavior; Reagent/catalyst; Solvent; | 95% |
With sulfuric acid | |
With water; benzenesulfonic acid |
Conditions | Yield |
---|---|
In aq. phosphate buffer at 20℃; for 72h; pH=7.0; Henry Nitro Aldol Condensation; Overall yield = 70%; Overall yield = 36.6 mg; diastereoselective reaction; | A n/a B 95% |
With n-butyllithium; acetic acid THF-DMPU-hexane, 1.) a.) -88 to -60 deg C, 75 min; b.) -70 to -60 deg C, 1.5 h; 2.) -90 to -85 deg C; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; |
4-nitrobenzaldehdye
1-Nitropropane
2-nitro-1-(4-nitrophenyl)butan-1-ol
2-nitro-1-(4-nitrophenyl)butan-1-ol
Conditions | Yield |
---|---|
In aq. phosphate buffer at 20℃; for 50h; pH=7.0; Henry Nitro Aldol Condensation; Overall yield = 87%; Overall yield = 52.2 mg; diastereoselective reaction; | A n/a B 95% |
Product distribution; var. ratio of educts, var. nitroalkanes, var. aldehydes; | A 60% B n/a |
Yield given. Multistep reaction. Yields of byproduct given; |
IUPAC Name: 1-Nitropropane
Product Name: 1-Nitropropane
The MF of 1-Nitropropane (CAS NO.108-03-2) is C3H7NO2.
The MW of 1-Nitropropane (CAS NO.108-03-2) is 89.09.
Synonyms of 1-Nitropropane (CAS NO.108-03-2): 1-Nitropane ; 1-Nitropan ; 1-Nitro-propan ; 1-NP ; Ai3-02264 ; N-C3H7NO2 ; NiPar S-10 ; Nitropropane(non-specificname)
Product Categories: Industrial/Fine Chemicals;Organics;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Alpha Sort;Chemical Class
Appearance: Colorless liquid with a somewhat disagreeable odor
Stability: Stable. Flammable. Incompatible with strong bases, strong oxidizing agents
Index of Refraction: 1.398
EINECS: 203-544-9
Density: 0.98 g/ml
Flash Point: 42.3 °C
Boiling Point: 131.7 °C
Melting Point: -108 °C
Storage temp: Flammables area
Water Solubility: 1.40 g/100 mL
Merck: 14,6627
BRN: 506236
1-Nitropropane (CAS NO.108-03-2) is used as primarily as solvents and intermediates, jet engine fuel, sprays and so on.
Preparation Products: Isobutyric acid-->Nitroethane-->2-Nitropropane
Raw materials: Nitric acid-->Nitromethane-->Nitroethane-->2-Nitropropane
1. | eye-hmn 150 ppm/15M | JIHTAB Journal of Industrial Hygiene and Toxicology. 28 (1946),262. | ||
2. | dns-rat:lvr 1 µmol/L | MUREAV Mutation Research. 221 (1989),263. | ||
3. | ihl-hmn TCLo:150 ppm:EYE | JIHTAB Journal of Industrial Hygiene and Toxicology. 28 (1946),262. | ||
4. | orl-rat LD50:455 mg/kg | NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. 1 (1974),91. | ||
5. | ihl-rat LC50:3100 ppm/8H | NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. 1 (1974),91. | ||
6. | orl-mus LD50:800 mg/kg | GISAAA Gigiena i Sanitariya. 32 (9)(1967),9. | ||
7. | ipr-mus LD50:250 mg/kg | KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. 10 (6)(1976),53. | ||
8. | orl-rbt LDLo:250 mg/kg | JIHTAB Journal of Industrial Hygiene and Toxicology. 22 (1940),315. |
Reported in EPA TSCA Inventory.
Poison by ingestion and intraperitoneal routes. Mildly toxic by inhalation. A human eye irritant. Human systemic effects by inhalation: conjunctiva irritation. Mutation data reported. Very dangerous fire hazard when exposed to heat, open flame, or oxidizers. Reacts violently with Ca(OH)2, hydrocarbons, hydroxides, inorganic bases. May explode on heating. Metal oxides increase its sensitivity to thermal ignition. To fight fire, use alcohol foam, CO2, dry chemical, water spray. When heated to decomposition it emits toxic fumes of NOx. See also 2-NITROPROPANE, NITROALKANES, and NITRO COMPOUNDS.Safety information of 1-Nitropropane (CAS NO.108-03-2):
Hazard Codes Xn
Risk Statements
10 Flammable
20/21/22 Harmful by inhalation, in contact with skin and if swallowed
Safety Statements
9 Keep container in a well-ventilated place
RIDADR UN 2608 3/PG 3
WGK Germany 1
RTECS TZ5075000
HazardClass 3
PackingGroup III
HS Code 29042000
OSHA PEL: TWA 25 ppm
ACGIH TLV: TWA 25 ppm; Not Classifiable as a Human Carcinogen
DFG MAK: 25 ppm (92 mg/m3)
For occupational chemical analysis use OSHA: #46.
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