1-Phenyl-2-nitropropene supplier

Name
1-Phenyl-2-nitropropene
EINECS 627-363-3
CAS No. 705-60-2
Article Data112
CAS DataBase
Density 1.141 g/cm³
Solubility
Melting Point 64-67
Formula C₉H₉NO₂
Boiling Point 263 °C at 760 mmHg
Molecular Weight 163.176
Flash Point 115.7 °C
Transport Information
Appearance Yellow crystalline powder
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzene,(2-nitro-1-propenyl)- (9CI);Benzene, (2-nitropropenyl)- (6CI,7CI,8CI);(2-Nitro-1-propenyl)benzene;(2-Nitropropenyl)benzene;1-(2-Nitropropenyl)benzene;1-Phenyl-2-nitro-1-propene;1-Phenyl-2-nitro-2-methylethene;1-Phenyl-2-nitropropene;2-Nitro-1-phenyl-1-propene;2-Nitro-1-phenylpropene;2-Nitro-3-phenyl-2-propene;NSC 2014;b-Methyl-b-nitrostyrene;
PSA 45.82000
LogP 2.84730

Synthetic route

: 79-24-3
Nitroethane

: 100-52-7
benzaldehyde

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
With 3-(diethylamino)propyltrimethoxysilane supported on silica-alumina at 100℃; for 4h;	90%
With (2-hydroxyethyl)ammonium formate at 20℃; for 3h; Knoevenagel condensation; Ionic liquid;	90%
With aminopropylated nanosilica for 24h; Henry reaction; Reflux;	89%

: 66618-80-2
1-phenyl-2-nitro-1-propanol acetate

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
With dmap In dichloromethane for 3h;	88%

: 79-24-3
Nitroethane

: 100-46-9
benzylamine

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
With 4-(4-fluorophenyl)naphthalene-1,2-dione; oxygen at 80℃; for 12h;	83%

: 101-39-3
2-methyl-3-phenyl-2-propenal

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
With copper(II) nitrate trihydrate In water; acetonitrile at 130℃; for 12h;	39%

: 1199-77-5
α-methylcinnamic acid

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
With diethyl ether; mixture of gaseous nitrogen oxides

: 79-24-3
Nitroethane

: 100-52-7
benzaldehyde

A: 705-60-2
(2-nitroprop-1-enyl)benzene

B: 55-21-0
benzamide

Conditions

Conditions	Yield
With zinc(II) chloride at 130 - 140℃; im geschlossenen Rohr;

...Expand

: 62753-13-3
(1-Nitro-allyl)-benzene

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
With triethylamine

: 25236-39-9
2-phenyl-1-nitroprop-1-ene

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
With triethylamine

: 19419-13-7
(1,2-dibromo-2-nitro-propyl)-benzene

: 147225-22-7
2-lithio-2-nitropropane

A: 5447-97-2
2-bromo-2-nitropropane

B: 3964-18-9
2,3-dimethyl-2,3-dinitrobutane

C: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
In dimethyl sulfoxide Ambient temperature;
In dimethyl sulfoxide for 0.166667h; Mechanism; Product distribution; Ambient temperature; also for other 1-aryl-1,2-dibromo-2-nitropropanes, also in the presence of p-dinitrobenzene or di-tert-butyl nitroxide;

...Expand

: 135711-45-4
Butyl-(2-nitro-1-phenyl-propyl)-amine

A: 705-60-2
(2-nitroprop-1-enyl)benzene

B: 109-73-9
N-butylamine

Conditions

Conditions	Yield
In acetonitrile at 30℃; Equilibrium constant; other temp.;

: 90558-08-0
2,3-dinitro-3-phenyl propane

A: 705-60-2
(2-nitroprop-1-enyl)benzene

B: 58321-79-2
(Z)-(2-nitroprop-2-en-1-yl)benzene

Conditions

Conditions	Yield
With calcium oxide In cyclohexane for 0.75h; Title compound not separated from byproducts;

: C15H15NO2S

A: 705-60-2
(2-nitroprop-1-enyl)benzene

B: 108-98-5
thiophenol

Conditions

Conditions	Yield
In water; acetonitrile at 35℃; Equilibrium constant; Further Variations:; Temperatures;

: 637-50-3
1-phenylpropene

4.4'-dipropenyl-diphenyl: 4.4'-dipropenyl-diphenyl

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 15 percent / N2O4 / CCl4 / 120 h / Ambient temperature 2: aq. CaO / cyclohexane / 0.75 h View Scheme

: 26251-08-1, 26251-09-2, 38316-08-4, 38316-09-5, 6343-57-3
2-nitro-1-phenylpropan-1-ol

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 58 percent / DMAP / diethyl ether / 1.5 h 2: 88 percent / DMAP / CH2Cl2 / 3 h View Scheme
With methanesulfonyl chloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; Inert atmosphere; Cooling with ice;

: 100-52-7
benzaldehyde

aminoguanidine salt: aminoguanidine salt

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 89 percent / t-BuOK * t-BuOH (1:1) / 2-methyl-propan-2-ol; tetrahydrofuran / 16 h / 0 °C 2: 58 percent / DMAP / diethyl ether / 1.5 h 3: 88 percent / DMAP / CH2Cl2 / 3 h View Scheme

: 62634-68-8
Acetic acid 1-methyl-2-nitro-2-phenyl-ethyl ester

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Et3N 2: Et3N View Scheme
Multi-step reaction with 2 steps 1: Na2CO3 2: Et3N View Scheme

: 100-52-7
benzaldehyde

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine / 16 h / 20 °C / Inert atmosphere 2: N-ethyl-N,N-diisopropylamine; methanesulfonyl chloride / dichloromethane / 20 °C / Inert atmosphere; Cooling with ice View Scheme

: 637-50-3
1-phenylpropene

: 705-60-2
(2-nitroprop-1-enyl)benzene

Conditions

Conditions	Yield
With 1-butyl-3-methylimidazolium chloride; sodium nitrite at 80℃; for 1h; Schlenk technique; Sealed tube; Inert atmosphere;	52 %Chromat.

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 58321-79-2
(Z)-(2-nitroprop-2-en-1-yl)benzene

Conditions

Conditions	Yield
With polimer supported; triphenylphosphine In dichloromethane at 20℃; for 20h;	100%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 17322-34-8
(2-nitropropyl)benzene

Conditions

Conditions	Yield
With formic acid; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; triethylamine; N-tosylethylenediamine In ethyl acetate at 28℃; for 0.5h; chemoselective reaction;	99%
With benzaldehyde; 1,2-diamino-benzene In butan-1-ol for 6h; Heating;	91%
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; S-benzyl isothiouronium chloride In methanol at 60℃; Inert atmosphere;	90%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 5187-82-6
(ethoxycarbonylmethyl)dimethylsulfonium bromide

: ethyl (4SR,5SR)-3-methyl-4-phenyl-4,5-dihydroisoxazole-5-carboxylate 2-oxide

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at 20℃; stereoselective reaction;	98%

: 50-00-0
formaldehyd

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 108-98-5
thiophenol

: 94421-45-1
2-Methyl-2-nitro-3-phenyl-3-phenylsulfanyl-propan-1-ol

Conditions

Conditions	Yield
With 1,1,3,3-tetramethylguanidine for 3h; Ambient temperature;	97%

...Expand

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 1195694-52-0
(E)-4-methyl-N-(2-(3-oxo-3-phenylprop-1-en-1-yl)phenyl)benzenesulfonamide

: 2-[(2R,3S,4R)-1,2,3,4-tetrahydro-2-phenyl-3-methyl-3-nitro-1-(tosyl)-4-quinolinyl]-1-phenylethanone

Conditions

Conditions	Yield
Stage #1: (2-nitroprop-1-enyl)benzene With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In 1,2-dichloro-ethane; toluene at 20℃; for 0.166667h; Stage #2: 4-methyl-N-(2-((E)-3-oxo-3-phenylprop-1-en-1-yl)phenyl)benzenesulfonamide In 1,2-dichloro-ethane; toluene at 20℃; for 12h; Reagent/catalyst; Solvent; enantioselective reaction;	96%

Yield

Stage #1: (2-nitroprop-1-enyl)benzene With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In 1,2-dichloro-ethane; toluene at 20℃; for 0.166667h;
Stage #2: 4-methyl-N-(2-((E)-3-oxo-3-phenylprop-1-en-1-yl)phenyl)benzenesulfonamide In 1,2-dichloro-ethane; toluene at 20℃; for 12h; Reagent/catalyst; Solvent; enantioselective reaction;

96%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: (E)-1-(2-methoxyphenyl)-3-(2-(tosylamino)phenyl)prop-2-en-1-one

: 2-[(2R,3S,4R)-1,2,3,4-tetrahydro-2-phenyl-3-methyl-3-nitro-1-tosyl-4-quinolinyl]-1-(2-methoxyphenyl)ethanone

Conditions

Conditions	Yield
Stage #1: (2-nitroprop-1-enyl)benzene With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In 1,2-dichloro-ethane; toluene at 20℃; for 0.166667h; Stage #2: (E)-1-(2-methoxyphenyl)-3-(2-(tosylamino)phenyl)prop-2-en-1-one In 1,2-dichloro-ethane; toluene at 20℃; for 48h; enantioselective reaction;	96%

Yield

Stage #1: (2-nitroprop-1-enyl)benzene With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In 1,2-dichloro-ethane; toluene at 20℃; for 0.166667h;
Stage #2: (E)-1-(2-methoxyphenyl)-3-(2-(tosylamino)phenyl)prop-2-en-1-one In 1,2-dichloro-ethane; toluene at 20℃; for 48h; enantioselective reaction;

96%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 40129-54-2, 112342-27-5
(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-acetic acid ethyl ester

: 79823-24-8
5,6-Dihydro-8,9-dimethoxy-3-methyl-2-phenylpyrrolo<2,1-a>isochinolin-1-carbonsaeure-ethylester

Conditions

Conditions	Yield
In ethanol for 2h; Heating;	95%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 1195694-52-0
(E)-4-methyl-N-(2-(3-oxo-3-phenylprop-1-en-1-yl)phenyl)benzenesulfonamide

: C31H28N2O5S

Conditions

Conditions	Yield
Stage #1: (2-nitroprop-1-enyl)benzene With C32H28F6N4O3 In dichloromethane at 20℃; for 0.166667h; Stage #2: 4-methyl-N-(2-((E)-3-oxo-3-phenylprop-1-en-1-yl)phenyl)benzenesulfonamide In dichloromethane at 20℃; for 12h; Reagent/catalyst; enantioselective reaction;	95%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: (E)-4,4-dimethyl-1-(2-(tosylamino)phenyl)pent-1-en-3-one

: 1-[(2R,3S,4R)-1,2,3,4-tetrahydro-2-phenyl-3-methyl-3-nitro-1-tosyl-4-quinolinyl]-3,3-dimethyl-2-butanone

Conditions

Conditions	Yield
Stage #1: (2-nitroprop-1-enyl)benzene With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In 1,2-dichloro-ethane; toluene at 20℃; for 0.166667h; Stage #2: (E)-4,4-dimethyl-1-(2-(tosylamino)phenyl)pent-1-en-3-one In 1,2-dichloro-ethane; toluene at 20℃; for 24h; enantioselective reaction;	95%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 135-19-3
β-naphthol

: 110973-39-2
2-methyl-1-phenylnaphtho[2,1-b]furan

Conditions

Conditions	Yield
With potassium carbonate In ethanol at 85℃; for 3h; Temperature; Solvent; Reagent/catalyst;	95%
With carbonaceous material (C-SO3H) In water at 60℃; for 10h; Green chemistry;	70%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 13213-36-0
1-phenylpropan-2-one oxime

Conditions

Conditions	Yield
With hydrogen In ethanol at 60℃; under 15001.5 Torr; for 0.333333h; Autoclave; chemoselective reaction;	94%
With sulfuric acid In water; isopropyl alcohol at 10 - 15℃; electrolysis;	91%
With sodium stannite In tetrahydrofuran; water for 0.416667h; Ambient temperature;	82%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 115-11-7
isobutene

: 638133-04-7
6,6-dimethyl-5,6-dihydro-3-methyl-4-phenyl-1,2-oxazine N-oxide

Conditions

Conditions	Yield
With tin(IV) chloride In dichloromethane at -90℃;	94%
With tin(IV) chloride In dichloromethane at -94 - 30℃;
Diels-Alder Cycloaddition;

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 5-methyl-4-phenyl-1H-1,2,3-triazole

Conditions

Conditions	Yield
With sodium azide; toluene-4-sulfonic acid In N,N-dimethyl-formamide at 60℃; for 1h;	94%
With sodium azide; benzoic acid at 80℃; for 0.416667h; Microwave irradiation;	57%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 80569-59-1
4-methyl-5-phenyl-2H-1,2,3-triazole

Conditions

Conditions	Yield
With sodium azide; toluene-4-sulfonic acid In N,N-dimethyl-formamide at 60℃;	94%
With sodium azide; toluene-4-sulfonic acid at 80℃;

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 142-29-0
cyclopentene

: 142840-09-3
-(3al,7l,7al)-1,2,3,3a,7,7a-hexahydro-6-methyl-7-phenylcyclopent<1,2>oxazine N-oxide

Conditions

Conditions	Yield
With tin(IV) chloride In dichloromethane at -78℃; for 0.75h; Product distribution; Mechanism; other nitroalkenes and cycloalkenes; diastereoselectivity; velocity;	93%
With tin(IV) chloride In dichloromethane at -78℃; for 0.75h;	93%
With tin(IV) chloride In dichloromethane at -94 - 30℃;

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 79-15-2
N-bromoacetamide

: 1215288-71-3
1-acetylamino-2-bromo-1-phenyl-2-nitropropane

Conditions

Conditions	Yield
With potassium phosphate In dichloromethane at 20℃; for 24h; Michael addition; regiospecific reaction;	92%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 72002-24-5, 36244-63-0
methyl 3-(benzylamino)but-2-enoate

: 1320232-56-1
methyl 1-benzyl-2,5-dimethyl-4-phenyl-1H-pyrrole-3-carboxylate

Conditions

Conditions	Yield
In methanol at 120℃; for 7h;	92%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: (E)-1-(4-chlorophenyl)-3-(2-(tosylamino)phenyl)prop-2-en-1-one

: 1-(4-chlorophenyl)-2-[(2R,3S,4R)-1,2,3,4-tetrahydro-2-phenyl-3-methyl-3-nitro-1-(tosyl)-4-quinolinyl]ethanone

Conditions

Conditions	Yield
Stage #1: (2-nitroprop-1-enyl)benzene With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In 1,2-dichloro-ethane; toluene at 20℃; for 0.166667h; Stage #2: (E)-1-(4-chlorophenyl)-3-(2-(tosylamino)phenyl)prop-2-en-1-one In 1,2-dichloro-ethane; toluene at 20℃; for 24h; enantioselective reaction;	92%

Yield

Stage #1: (2-nitroprop-1-enyl)benzene With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In 1,2-dichloro-ethane; toluene at 20℃; for 0.166667h;
Stage #2: (E)-1-(4-chlorophenyl)-3-(2-(tosylamino)phenyl)prop-2-en-1-one In 1,2-dichloro-ethane; toluene at 20℃; for 24h; enantioselective reaction;

92%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: (E)-1-(4-bromophenyl)-3-(2-(tosylamino)phenyl)prop-2-en-1-one

: 1-(4-bromophenyl)-2-[(2R,3S,4R)-1,2,3,4-tetrahydro-2-phenyl-3-methyl-3-nitro-1-(tosyl)-4-quinolinyl]ethanone

Conditions

Conditions	Yield
Stage #1: (2-nitroprop-1-enyl)benzene With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In 1,2-dichloro-ethane; toluene at 20℃; for 0.166667h; Stage #2: (E)-1-(4-bromophenyl)-3-(2-(tosylamino)phenyl)prop-2-en-1-one In 1,2-dichloro-ethane; toluene at 20℃; for 24h; enantioselective reaction;	92%

Yield

Stage #1: (2-nitroprop-1-enyl)benzene With 3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-(((S)-(6-methoxyquinoline-4-yl))((1S,2S,4S,5R-5-vinylquinuclidine-2-yl)methyl)amino)cyclobutan-3-ene-1,2-dione In 1,2-dichloro-ethane; toluene at 20℃; for 0.166667h;
Stage #2: (E)-1-(4-bromophenyl)-3-(2-(tosylamino)phenyl)prop-2-en-1-one In 1,2-dichloro-ethane; toluene at 20℃; for 24h; enantioselective reaction;

92%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 504-02-9
1,3-cylohexanedione

: 90-04-0
2-methoxy-phenylamine

: 1519057-98-7
1-(2-methoxyphenyl)-2-methyl-3-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one

Conditions

Conditions	Yield
With L-proline In water at 60℃; for 10h; Green chemistry;	92%

...Expand

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 22596-45-8, 39159-19-8, 61841-00-7, 68498-15-7, 87162-61-6, 134964-65-1
(2S,3R)-(-)-2-methyl-2-nitro-3-phenyloxirane

Conditions

Conditions	Yield
With sodium hypochlorite; C34H33N2O(1+)*Br(1-) In water; toluene at -20℃; Inert atmosphere; enantioselective reaction;	92%

: 371-67-5
2,2,2-trifluorodiazoethane

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole

Conditions

Conditions	Yield
With sodium phosphate; silver(l) oxide In tetrahydrofuran at 20℃; Schlenk technique; regioselective reaction;	92%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 60-15-1, 156-34-3, 51-64-9, 300-62-9
2-amino-1-phenylpropane

Conditions

Conditions	Yield
With sodium tetrahydroborate; borane-THF In tetrahydrofuran at 25℃; for 144h;	91%
With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether for 2h; Heating;	77%
With lithium aluminium tetrahydride In diethyl ether for 3h; Inert atmosphere; Reflux;	77%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 93102-05-7
N-benzyl-N-(methoxymethyl)-N-[(trimethylsilyl)methyl]amine

: 1-benzyl-3-methyl-3-nitro-4-phenylpyrrolidine

Conditions

Conditions	Yield
Stage #1: (2-nitroprop-1-enyl)benzene; N-benzyl-N-(methoxymethyl)-N-[(trimethylsilyl)methyl]amine In acetonitrile Heating; Modular flow reactor; Stage #2: With silica gel In acetonitrile Modular flow reactor;	91%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: methyl 2-(5-bromo-3-formyl-1H-indol-2-yl)acetate

: methyl 6-bromo-3-methyl-2-phenyl-9H-carbazole-1-carboxylate

Conditions

Conditions	Yield
Stage #1: (2-nitroprop-1-enyl)benzene; methyl 2-(5-bromo-3-formyl-1H-indol-2-yl)acetate With 1,4-diaza-bicyclo[2.2.2]octane In water at 20℃; Green chemistry; Stage #2: With hydrogenchloride In water at 20℃; Green chemistry;	91%

: 64-17-5
ethanol

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 96301-73-4
1-Ethoxy-1-phenyl-propan-2-one oxime

Conditions

Conditions	Yield
With tin(ll) chloride for 0.333333h; Ambient temperature;	90%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 75-08-1
ethanethiol

: 96301-74-5
1-Ethylsulfanyl-1-phenyl-propan-2-one oxime

Conditions

Conditions	Yield
With tin(ll) chloride for 0.333333h; Ambient temperature;	90%

: 705-60-2
(2-nitroprop-1-enyl)benzene

: 2999-46-4
Ethyl isocyanoacetate

: 124901-12-8
ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran; isopropyl alcohol at 10 - 20℃;	90%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran Ambient temperature;	54%
With potassium carbonate In tetrahydrofuran at 20℃; for 16h;

: 705-60-2
(2-nitroprop-1-enyl)benzene

: quinazolin-3-ium-3-yl(tosyl)amide

: 1-methyl-2-phenylpyrazolo[1,5-c]quinazoline

Conditions

Conditions	Yield
In dimethyl sulfoxide at 110℃; for 24h; Mechanism; Solvent; Temperature; Time; Inert atmosphere; Schlenk technique; Sealed tube;	90%
In dimethyl sulfoxide at 110℃; for 24h; Schlenk technique; Inert atmosphere;	90%

1-Phenyl-2-nitropropene Specification

The systematic name of 1-Phenyl-2-nitropropene is (2-nitroprop-1-en-1-yl)benzene. With the CAS registry number 705-60-2, it is also named as Benzene, 2-nitropropenyl-. The product's categories are Aromatic Hydrocarbons (substituted) & Derivatives; Acyclic; Alkenes; Organic Building Blocks. It is yellow crystalline powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.02; (6)ACD/BCF (pH 7.4): 66.02; (7)ACD/KOC (pH 5.5): 698.44; (8)ACD/KOC (pH 7.4): 698.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 48 cm³; (15)Molar Volume: 142.9 cm³; (16)Polarizability: 19.03×10^-24 cm³; (17)Surface Tension: 42.4 dyne/cm; (18)Enthalpy of Vaporization: 48.06 kJ/mol; (19)Vapour Pressure: 0.0172 mmHg at 25°C.

Preparation of 1-Phenyl-2-nitropropene: It can be obtained by benzaldehyde and nitroethane. This reaction needs solvent benzene by heating. The reaction time is 15 hours. The yield is 83%.

Uses of 1-Phenyl-2-nitropropene: It can react with phosphonic acid diisopropyl ester to get (1-hydroxy-2-methyl-1H-indol-3-yl)-phosphonic acid diisopropyl ester. This reaction needs reagent K₂CO₃ and solvent propan-2-ol at temperature of 60-70 °C. The reaction time is 6 hours. The yield is 80%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:[O-][N+](=O)C(=Cc1ccccc1)C
2. InChI:InChI=1/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3
3. InChIKey:WGSVFWFSJDAYBM-UHFFFAOYAL

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	154mg/kg (154mg/kg)	Chemotherapy Vol. 11, Pg. 321, 1963.
mouse	LD50	oral	1176mg/kg (1176mg/kg)	Chemotherapy Vol. 11, Pg. 321, 1963.
rat	LD	oral	> 500mg/kg (500mg/kg)	National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 32, 1953.
rat	LDLo	intraperitoneal	200mg/kg (200mg/kg)	Biochemical Pharmacology. Vol. 13, Pg. 285, 1964.

Product Name

1-Phenyl-2-nitropropene

Synthetic route

1-Phenyl-2-nitropropene Specification

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