2-Nitropropene supplier | CasNO.4749-28-4

Name
2-NITROPROPENE
EINECS
CAS No. 4749-28-4
Article Data31
CAS DataBase
Density 1.015g/cm³
Solubility
Melting Point 65-67 °C
Formula C3H5 N O2
Boiling Point 119.4°Cat760mmHg
Molecular Weight 87.0782
Flash Point 31.9°C
Transport Information
Appearance
Safety Potentially dangerous polymerization reaction on contact with alkalies. When heated to decomposition it emits toxic fumes of NO_x. See also NITROALKANES.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propene,2-nitro- (6CI,7CI,8CI); 2-Nitro-1-propene; 2-Nitropropene; 2-Nitropropylene
PSA 45.82000
LogP 1.31990

Synthetic route

: 2902-96-7
2-NITROPROPANOL

: 4749-28-4
2-nitropropene

Conditions

Conditions	Yield
With phthalic anhydride Heating;	94%
With phthalic anhydride at 150 - 185℃; for 1.5h;	72%
With triethylamine; trifluoroacetic anhydride Inert atmosphere;	56%

: 609-31-4
2-nitro-1-butanol

: 4749-28-4
2-nitropropene

Conditions

Conditions	Yield
With phthalic anhydride at 150 - 200℃;	52%

: 3275-15-8
1-(2-nitro-propyl)-piperidine

: 4749-28-4
2-nitropropene

Conditions

Conditions	Yield
With diethyl ether; Di(2-ethylhexyl)phthalate; boron trifluoride anschliessendes Erhitzen unter 1 Torr auf 105grad;

: 2425-66-3
1-chloro-2-nitro-propane

: 4749-28-4
2-nitropropene

Conditions

Conditions	Yield
With silica gel at 325℃;

: 3750-82-1
2-nitroacetoxypropane

: 4749-28-4
2-nitropropene

Conditions

Conditions	Yield
With sodium carbonate; benzene

: 5437-73-0
benzoic acid-(2-nitro-propyl ester)

A: 4749-28-4
2-nitropropene

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
auch unter vermindertem Druck;

N-<2-nitro-propyl>-piperidine hydrochloride: N-<2-nitro-propyl>-piperidine hydrochloride

: 4749-28-4
2-nitropropene

Conditions

Conditions	Yield
at 105 - 160℃; under 70 Torr;

: 3750-82-1
2-nitroacetoxypropane

calcium magnesium phosphate: calcium magnesium phosphate

A: 4749-28-4
2-nitropropene

B: 64-19-7
acetic acid

Conditions

Conditions	Yield
at 285℃;

...Expand

: 187737-37-7
propene

A: 4749-28-4
2-nitropropene

B: 123-38-6
propionaldehyde

C: 67-64-1
acetone

Conditions

Conditions	Yield
With bis(acetonitrile)chloronitropalladium(II) In chloroform at 25℃; under 0.1 Torr; for 6h; Product distribution; Further Variations:; Reagents;	A 6 % Chromat. B 1 % Chromat. C 93 % Chromat.

...Expand

: 102588-22-7
N,N-bis(trimethylsilyloxy)-1-propen-2-amine

: 4749-28-4
2-nitropropene

Conditions

Conditions	Yield
With bromine; tetrabutylammonium acetate In dichloromethane at -78 - 20℃;	95 % Spectr.

: 79-46-9
2-nitropropane

: 108-03-2
1-Nitropropane

A: 4749-28-4
2-nitropropene

B: 3156-70-5
1-Nitropropen

Conditions

Conditions	Yield
With nitric acid at 200℃; under 16274.9 Torr; Product distribution / selectivity;

...Expand

: 2-nitropropyl phtalate

: 4749-28-4
2-nitropropene

Conditions

Conditions	Yield
Pyrolysis;

: 4749-28-4
2-nitropropene

: 89025-69-4
N-(3α-acetoxy-11-oxonorcholan-23-ylcarbonyloxy)pyridine-2-thione

: 104543-15-9
3α-acetoxy, 25-nitro-25-(pyridine-2-thiyl)-11-oxo,27-nor-5β-cholestane

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In benzene at -20 - -10℃; for 0.5h; Irradiation;	100%

: 4749-28-4
2-nitropropene

: 5707-04-0
Phenylselenyl chloride

: 2966-50-9
silver trifluoroacetate

: 104313-35-1
2-nitro-2-phenylseleno-propyl-trifluoroacetate

Conditions

Conditions	Yield
In dichloromethane Ambient temperature;	97%

...Expand

: 4749-28-4
2-nitropropene

: 1193-55-1
2-methylcyclohexane-1,3-dione

: 32561-57-2
2-Methyl-2-(2-oxopropyl)-1,3-cyclohexanedione

Conditions

Conditions	Yield
potassium fluoride In xylene at 120℃; for 19h;	96%

: 4749-28-4
2-nitropropene

: 20289-26-3
4-benzyloxy-1H-indole

: 2873-49-6
1-<4-(benzyloxy)indol-3-yl>-2-nitropropane

Conditions

Conditions	Yield
In benzene Heating;	96%
In benzene Heating;	59%

: 4749-28-4
2-nitropropene

: 108-94-1
cyclohexanone

: 108-24-7
acetic anhydride

: 125405-73-4, 125405-74-5, 132336-66-4
2-(2-acetyl-aci-nitropropyl)cyclohexanone

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran 1.) -78 deg C, 2 h; 2.) -78 to 20 deg C over 2 h;	96%
Yield given. Multistep reaction;

...Expand

: 4749-28-4
2-nitropropene

: 1374824-30-2
α-(2-ethyl acetate) Meldrum's acid

: 1374824-20-0
(S)-2-(2,2-dimethyl-5-(2-nitropropyl)-4,6-dioxo-1,3-dioxan-5-yl)ethyl acetate

Conditions

Conditions	Yield
With (R)-2,4,6-triisopropyl-N-((2-methyl-2-morpholinopropyl)carbamoyl)benzenesulfinamide In cyclopentyl methyl ether at -30℃; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	95%

: 4749-28-4
2-nitropropene

: 507-09-5
thioacetic acid

: 1365479-49-7
S-2-nitropropyl thiolacetate

Conditions

Conditions	Yield
With tributyl-amine In diethyl ether for 1h; Michael addition; Cooling with ice;	94%

: 4749-28-4
2-nitropropene

: 17216-65-8
5-ethyl-2,2-dimethyl-[1,3]dioxane-4,6-dione

: 1374824-13-1
(S)-5-ethyl-2,2-dimethyl-5-(2-nitropropyl)-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
With (R)-2,4,6-triisopropyl-N-((2-methyl-2-morpholinopropyl)carbamoyl)benzenesulfinamide In cyclopentyl methyl ether at -30℃; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	94%

: 4749-28-4
2-nitropropene

: 3709-18-0
2,2,5-trimethyl-1,3-dioxane-4,6-dione

: 1374824-11-9
(S)-2,2,5-trimethyl-5-(2-nitropropyl)-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
With (R)-2,4,6-triisopropyl-N-((2-methyl-2-morpholinopropyl)carbamoyl)benzenesulfinamide In cyclopentyl methyl ether at -30℃; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	93%

: 4749-28-4
2-nitropropene

: 3709-38-4
2,2-dimethyl-5-phenethyl-[1,3]dioxane-4,6-dione

: 1374824-15-3
(S)-2,2-dimethyl-5-(2-nitropropyl)-5-phenethyl-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
With (R)-2,4,6-triisopropyl-N-((2-methyl-2-morpholinopropyl)carbamoyl)benzenesulfinamide In cyclopentyl methyl ether at -30℃; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	93%

: 4749-28-4
2-nitropropene

: 136368-54-2
2-morpholinopent-1-en-3-one

: 136368-57-5
1-ethyl-5-methyl-2-morpholino-5-nitrocyclopent-2-enol

Conditions

Conditions	Yield
at -20℃; for 2h;	92%

: 4749-28-4
2-nitropropene

: 57310-73-3
2-morpholin-4-yl-1,3-diphenyl-propenone

: 136368-82-6
5-methyl-2-morpholino-5-nitro-1,3-diphenyl-cyclopent-2-enol

Conditions

Conditions	Yield
for 2h;	92%

: 4749-28-4
2-nitropropene

: 140405-47-6
3-(n-butylimino)-butan-2-one

: 140405-49-8
5-(n-butylimino)-1,2-dimethyl-2-nitrocyclopentan-1-ol

Conditions

Conditions	Yield
for 0.5h;	90%

: 4749-28-4
2-nitropropene

: 1094204-79-1
2,2-dimethyl-5-(2-(methylthio)ethyl)-1,3-dioxane-4,6-dione

: 1374824-19-7
(S)-2,2-dimethyl-5-(2-(methylthio)ethyl)-5-(2-nitropropyl)-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
With (R)-2,4,6-triisopropyl-N-((2-methyl-2-morpholinopropyl)carbamoyl)benzenesulfinamide In cyclopentyl methyl ether at -30℃; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	90%

: 4749-28-4
2-nitropropene

: 75307-63-0
5-Acetoxy-2,2-dimethyl-1,3-dioxan-4,6-dion

: 1374824-22-2
(S)-2,2-dimethyl-5-(2-nitropropyl)-4,6-dioxo-1,3-dioxan-5-yl acetate

Conditions

Conditions	Yield
With (R)-2,4,6-triisopropyl-N-((2-methyl-2-morpholinopropyl)carbamoyl)benzenesulfinamide In cyclopentyl methyl ether at -30℃; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	90%

: 1006-94-6
5-methoxylindole

: 4749-28-4
2-nitropropene

: 113997-50-5
1-(5-methoxyindol-3-yl)-2-nitropropane

Conditions

Conditions	Yield
In benzene Heating;	89%

: 4749-28-4
2-nitropropene

: C13H12O3

: C15H17NO3

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; (S,Rp)-FeUrPhos In 1,4-dioxane at 25℃; for 72h; Inert atmosphere; Glovebox; stereoselective reaction;	89%

: 50-00-0
formaldehyd

: 4749-28-4
2-nitropropene

: 108-98-5
thiophenol

: 94421-42-8
2-Methyl-2-nitro-3-phenylsulfanyl-propan-1-ol

Conditions

Conditions	Yield
With 1,1,3,3-tetramethylguanidine for 5h; Ambient temperature;	88%

...Expand

: 4749-28-4
2-nitropropene

: 1374824-28-8
α-(4-(trifluoromethoxy)phenethyl) Meldrum's acid

: 1374824-17-5
(S)-2,2-dimethyl-5-(2-nitropropyl)-5-(4-(trifluoromethoxy)phenethyl)-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
With (R)-2,4,6-triisopropyl-N-((2-methyl-2-morpholinopropyl)carbamoyl)benzenesulfinamide In cyclopentyl methyl ether at -30℃; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	88%

: 4749-28-4
2-nitropropene

: 108-24-7
acetic anhydride

: 96-22-0
pentan-3-one

: 125405-68-7, 125405-69-8, 132336-65-3
C10H17NO4

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran 1.) -78 deg C, 2 h; 2.) -78 to 20 deg C over 2 h;	87%
Yield given. Multistep reaction;

...Expand

: 4749-28-4
2-nitropropene

: 71-43-2
benzene

: 103-79-7
1-phenyl-acetone

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In dichloromethane at -40℃; for 0.0166667h;	85%

: 4749-28-4
2-nitropropene

: 74965-92-7
2,2-Dimethyl-5-(2-methylpropyl)-1,3-dioxane-4,6-dione

: 1374824-14-2
(S)-5-isobutyl-2,2-dimethyl-5-(2-nitropropyl)-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
With (R)-2,4,6-triisopropyl-N-((2-methyl-2-morpholinopropyl)carbamoyl)benzenesulfinamide In cyclopentyl methyl ether at -30℃; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	85%

: 4749-28-4
2-nitropropene

: C14H14O3

: C16H19NO3

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; (S,Rp)-FeUrPhos In 1,4-dioxane at 25℃; for 72h; Inert atmosphere; Glovebox; stereoselective reaction;	85%

: 4749-28-4
2-nitropropene

: C10H14O3

: C12H19NO3

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; (S,Rp)-FeUrPhos In 1,4-dioxane at 25℃; for 60h; Inert atmosphere; Glovebox; stereoselective reaction;	85%

: 4749-28-4
2-nitropropene

: C11H14O3

: C13H19NO3

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; (S,Rp)-FeUrPhos In 1,4-dioxane at 25℃; for 60h; Inert atmosphere; Glovebox; stereoselective reaction;	84%

: 4749-28-4
2-nitropropene

: 120-57-0
piperonal

: 2577-48-2
methyl (2S)-pyrrolidine carboxylate

: methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-methyl-2-nitrohexahydro-1H-pyrrolizine-7a-carboxylate

Conditions

Conditions	Yield
Stage #1: 2-nitropropene; piperonal; methyl (2S)-pyrrolidine carboxylate With sodium sulfate; triethylamine In acetonitrile at 80℃; for 0.333333h; Stage #2: In acetonitrile at 80℃; for 0.75h; Stage #3: In acetonitrile	83%

...Expand

: 120-72-9
indole

: 4749-28-4
2-nitropropene

: 4771-72-6
α-methyl-β-(3-indolyl)-1-nitroethane

Conditions

Conditions	Yield
In benzene Heating;	81%
In benzene Heating;

: 4749-28-4
2-nitropropene

: 591-78-6
n-hexan-2-one

: 108-24-7
acetic anhydride

: 125405-62-1, 125405-63-2, 132336-62-0
C11H19NO4

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran 1.) -78 deg C, 2 h; 2.) -78 to 20 deg C over 2 h;	81%
multistep reaction, other nitroalkenes, other ketones, synthesis of acetic nitronic anhydrides;
Yield given. Multistep reaction;

...Expand

: 4749-28-4
2-nitropropene

: 1374824-27-7
α-(3-methoxyphenethyl) Meldrum's acid

: 1374824-16-4
(S)-5-(3-methoxyphenethyl)-2,2-dimethyl-5-(2-nitropropyl)-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
With (R)-2,4,6-triisopropyl-N-((2-methyl-2-morpholinopropyl)carbamoyl)benzenesulfinamide In cyclopentyl methyl ether at -30℃; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;	81%

2-Nitropropene Chemical Properties

Product Name: 2-Nitropropene (CAS NO.4749-28-4)

IUPAC: 2-Nitroprop-1-ene
Molecular Formula: C₃H₅NO₂
Molecular Weight: 87.08g/mol
Mol File: 4749-28-4.mol
Boiling point: 119.4 °C at 760 mmHg
Flash Point: 31.9 °C
Density: 1.015 g/cm³
Surface Tension: 26.9 dyne/cm
Enthalpy of Vaporization: 34.28 kJ/mol
Vapour Pressure: 19.1 mmHg at 25°C
XLogP3-AA: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 2

2-Nitropropene Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LCLo	inhalation	250mg/m³/10M (250mg/m³)		National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. No.9-4-1-19, Pg. 1943,

2-Nitropropene Safety Profile

Potentially dangerous polymerization reaction on contact with alkalies. When heated to decomposition it emits toxic fumes of NO_x. See also NITROALKANES.

2-Nitropropene Specification

2-Nitropropene , its CAS NO. is 4749-28-4, the synonyms are 2-Nitropropylene ; 4-01-00-00764 (Beilstein Handbook Reference) ; BRN 1209319 ; TL 1147 ; Propene, 2-nitro- .

Product Name

2-NITROPROPENE

Synthetic route

2-Nitropropene Chemical Properties

2-Nitropropene Toxicity Data With Reference

2-Nitropropene Safety Profile

2-Nitropropene Specification

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