N-Methyl-1-(methylthio)-2-nitroethylen-1-amine supplier

Name
N-Methyl-1-(methylthio)-2-nitroethylen-1-amine
EINECS 263-266-9
CAS No. 61832-41-5
Article Data18
CAS DataBase
Density 1.199 g/cm³
Solubility
Melting Point 112-118 °C(lit.)
Formula C₄H₈N₂O₂S
Boiling Point 236.5 °C at 760 mmHg
Molecular Weight 148.186
Flash Point 96.8 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Methylthio-1-methylamino-2-nitroethylene;
PSA 83.15000
LogP 1.55850

Synthetic route

: 74-89-5
methylamine

: 13623-94-4
1,1-di(methylsulfanyl)-2-nitroethylene

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

Conditions

Conditions	Yield
In ethanol for 5h; Reflux;	75%

: 593-51-1
methylamine hydrochloride

: 13623-94-4
1,1-di(methylsulfanyl)-2-nitroethylene

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane

: 61832-49-3
1-(n-methylsulfinyl)-1-(n-methylthio)-2-nitroethene

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

Conditions

Conditions	Yield
With methylamine In methanol

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 100-52-7
benzaldehyde

: 1620024-38-5
N,1-dimethyl-6-(methylthio)-3,5-dinitro-4-phenyl-1,4-dihydropyridin-2-amine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In water at 20℃; for 0.25h; Catalytic behavior; Solvent; Reagent/catalyst; Green chemistry;	98%
In neat (no solvent) at 100℃; for 0.166667h; Temperature; Solvent; Reagent/catalyst; Microwave irradiation; Green chemistry;	94%
With 2-aminopyridine In ethanol at 80℃; for 5h;	92%

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 148-53-8
3-methoxy-2-hydroxybenzaldehyde

: 1173429-63-4
N-[8-methoxy-4-(methylsulfanyl)-3-nitro-4H-2-chromenyl]-N-methylamine

Conditions

Conditions	Yield
With cholin hydroxide In water at 20℃; for 5h; Green chemistry;	96%
Stage #1: 3-methoxy-2-hydroxybenzaldehyde With 1,8-diazabicyclo[5.4.0]undec-7-ene In methanol at 20℃; Stage #2: (E-)-N-methyl-1-(methylthio)-2-nitroethanamine In methanol at 20℃; for 15h;	85%

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 141-97-9
ethyl acetoacetate

: 529-20-4
2-methylphenyl aldehyde

: 100-63-0
phenylhydrazine

: 4-(2-methylphenyl)-N,3-dimethyl-5-nitro-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In ethanol Reflux;	96%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 135-19-3
β-naphthol

: 1-(3,4,5-trimethoxyphenyl)-N-methyl-2-nitro-1H-benzo[f]chromen-3-amine

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.583333h; Green chemistry;	96%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 123-11-5
4-methoxy-benzaldehyde

: 135-19-3
β-naphthol

: 1-(4-methoxyphenyl)-N-methyl-2-nitro-1H-benzo[f]chromen-3-amine

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.6h; Green chemistry;	96%

...Expand

: 582-17-2
2,7-Dihydroxynaphthalene

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 123-11-5
4-methoxy-benzaldehyde

: 1-(4-methoxyphenyl)-3-(methylamino)-2-nitro-1H-benzo[f]chromen-9-ol

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.583333h; Green chemistry;	96%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 10031-82-0
4-ethoxybenzaldehyde

: 135-19-3
β-naphthol

: 1-(4-ethoxyphenyl)-N-methyl-2-nitro-1H-benzo[f]chromen-3-amine

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.583333h; Green chemistry;	96%

...Expand

: 120-57-0
piperonal

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 135-19-3
β-naphthol

: 1-(benzo[d][1,3]dioxol-6-yl)-N-methyl-2-nitro-1H-benzo[f]chromen-3-amine

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.616667h; Green chemistry;	96%

...Expand

: 934-32-7
1H-benzimidazol-2-amine

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 104-87-0
4-methyl-benzaldehyde

: N-methyl-3-nitro-4-(p-tolyl)-4,10-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-2-amine

Conditions

Conditions	Yield
With polyethylene glycol methacrylate-grafted tetraethylene glycol-bridged dicationic imidazolium based ionic liquid In neat (no solvent) at 80℃; Green chemistry;	96%
With toluene-4-sulfonic acid In ethanol at 80℃; for 3h;	91%

...Expand

: 934-32-7
1H-benzimidazol-2-amine

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 10031-82-0
4-ethoxybenzaldehyde

: 4-(4-ethoxyphenyl)-N-methyl-3-nitro-4,10-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-2-amine

Conditions

Conditions	Yield
With polyethylene glycol methacrylate-grafted tetraethylene glycol-bridged dicationic imidazolium based ionic liquid In neat (no solvent) at 80℃; Green chemistry;	96%

...Expand

: 934-32-7
1H-benzimidazol-2-amine

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 123-11-5
4-methoxy-benzaldehyde

: 4-(4-methoxyphenyl)-N-methyl-3-nitro-4,10-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-2-amine

Conditions

Conditions	Yield
With polyethylene glycol methacrylate-grafted tetraethylene glycol-bridged dicationic imidazolium based ionic liquid In neat (no solvent) at 80℃; for 0.333333h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Green chemistry;	96%
With toluene-4-sulfonic acid In ethanol at 80℃; for 3h;	91%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 104-88-1
4-chlorobenzaldehyde

: 614-16-4
Benzoylacetonitrile

: 6-(methylamino)-4-(4-chlorophenyl)-5-nitro-2-phenyl-4H-pyran-3-carbonitrile

Conditions

Conditions	Yield
Stage #1: 4-chlorobenzaldehyde; Benzoylacetonitrile With triethylamine In ethanol at 20℃; for 0.0833333 - 0.166667h; Stage #2: (E-)-N-methyl-1-(methylthio)-2-nitroethanamine In ethanol for 1.5h; Reflux;	95%
With triethylamine In ethanol for 1.5h; Reflux; regioselective reaction;	93%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 104-88-1
4-chlorobenzaldehyde

: 20356-45-0
3-(1H-indol-3-yl)-3-oxo-propionitrile

: 1463535-38-7
2-(1H-indol-3-yl)-6-(methylamino)-5-nitro-4-(4-chlorophenyl)-4H-pyran-3-carbonitrile

Conditions

Conditions	Yield
With triethylamine In ethanol for 1.5h; Solvent; Reagent/catalyst; Reflux; regioselective reaction;	95%
With indium(III) chloride for 0.0833333h; Microwave irradiation; Sealed tube; chemoselective reaction;	86%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 614-16-4
Benzoylacetonitrile

: 1122-91-4
4-bromo-benzaldehyde

: 1463535-58-1
6-(methylamino)-4-(4-bromophenyl)-5-nitro-2-phenyl-4H-pyran-3-carbonitrile

Conditions

Conditions	Yield
With triethylamine In ethanol for 1.5h; Reflux; regioselective reaction;	95%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 141-97-9
ethyl acetoacetate

: 1122-91-4
4-bromo-benzaldehyde

: 100-63-0
phenylhydrazine

: 4-(4-bromophenyl)-N,3-dimethyl-5-nitro-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In ethanol Reflux;	95%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 141-97-9
ethyl acetoacetate

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 100-63-0
phenylhydrazine

: 4-(3,4,5-trimethoxyphenyl)-N,3-dimethyl-5-nitro-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-amine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In ethanol Reflux;	95%

...Expand

: 4290-87-3
1-prop-2-ynyl-1H-indole-2,3-dione

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 89-25-8
edaravone

: 1609627-39-5
C24H19N5O4

Conditions

Conditions	Yield
In water at 80℃; Solvent; Green chemistry;	95%
With indium(III) chloride In ethanol for 7h; Reflux; Green chemistry; regioselective reaction;	90%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 529-20-4
2-methylphenyl aldehyde

: 135-19-3
β-naphthol

: N-methyl-2-nitro-1-o-tolyl-1H-benzo[f]chromen-3-amine

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.633333h; Green chemistry;	95%

...Expand

: 582-17-2
2,7-Dihydroxynaphthalene

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 591-31-1
3-methoxy-benzaldehyde

: 1-(3-methoxyphenyl)-3-(methylamino)-2-nitro-1H-benzo[f]chromen-9-ol

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.633333h; Green chemistry;	95%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 1122-91-4
4-bromo-benzaldehyde

: 92-44-4
2,3-naphthalenediol

: 1-(4-bromophenyl)-3-(methylamino)-2-nitro-1H-benzo[f]chromen-5-ol

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.666667h; Green chemistry;	95%

...Expand

: 582-17-2
2,7-Dihydroxynaphthalene

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 1122-91-4
4-bromo-benzaldehyde

: 1-(4-bromophenyl)-3-(methylamino)-2-nitro-1H-benzo[f]chromen-9-ol

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.633333h; Green chemistry;	95%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 104-88-1
4-chlorobenzaldehyde

: 135-19-3
β-naphthol

: 1-(4-chlorophenyl)-N-methyl-2-nitro-1H-benzo[f]chromen-3-amine

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.583333h; Green chemistry;	95%

...Expand

: 582-17-2
2,7-Dihydroxynaphthalene

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 459-57-4
4-fluorobenzaldehyde

: 1-(4-fluorophenyl)-3-(methylamino)-2-nitro-1H-benzo[f]chromen-9-ol

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.616667h; Green chemistry;	95%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 10031-82-0
4-ethoxybenzaldehyde

: 92-44-4
2,3-naphthalenediol

: 1-(4-ethoxyphenyl)-3-(methylamino)-2-nitro-1H-benzo[f]chromen-5-ol

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.633333h; Green chemistry;	95%

...Expand

: 582-17-2
2,7-Dihydroxynaphthalene

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 10031-82-0
4-ethoxybenzaldehyde

: 1-(4-ethoxyphenyl)-3-(methylamino)-2-nitro-1H-benzo[f]chromen-9-ol

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.6h; Green chemistry;	95%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 587-04-2
3-Chlorobenzaldehyde

: 135-19-3
β-naphthol

: 1-(3-chlorophenyl)-N-methyl-2-nitro-1H-benzo[f]chromen-3-amine

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.633333h; Green chemistry;	95%

...Expand

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 122-03-2
(4-isopropylbenzaldehyde)

: 135-19-3
β-naphthol

: 1-(4-isopropylphenyl)-N-methyl-2-nitro-1H-benzo[f]chromen-3-amine

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.633333h; Green chemistry;	95%

...Expand

: 98-03-3
thiophene-2-carbaldehyde

: 582-17-2
2,7-Dihydroxynaphthalene

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 3-(methylamino)-2-nitro-1-(thiophen-2-yl)-1H-benzo[f]chromen-9-ol

Conditions

Conditions	Yield
In ethanol; water at 60℃; for 0.666667h; Mechanism; Solvent; Temperature; Time; Green chemistry;	95%

...Expand

: 934-32-7
1H-benzimidazol-2-amine

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 1122-91-4
4-bromo-benzaldehyde

: 4-(4-bromophenyl)-N-methyl-3-nitro-4,10-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-2-amine

Conditions

Conditions	Yield
With polyethylene glycol methacrylate-grafted tetraethylene glycol-bridged dicationic imidazolium based ionic liquid In neat (no solvent) at 80℃; Green chemistry;	95%
With toluene-4-sulfonic acid In ethanol at 80℃; for 3h;	89%

...Expand

: 934-32-7
1H-benzimidazol-2-amine

: 61832-41-5
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine

: 459-57-4
4-fluorobenzaldehyde

: 4-(4-fluorophenyl)-N-methyl-3-nitro-4,10-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-2-amine

Conditions

Conditions	Yield
With polyethylene glycol methacrylate-grafted tetraethylene glycol-bridged dicationic imidazolium based ionic liquid In neat (no solvent) at 80℃; Green chemistry;	95%
With toluene-4-sulfonic acid In ethanol at 80℃; for 4h;	90%

...Expand

N-Methyl-1-(methylthio)-2-nitroethylen-1-amine Specification

This chemical is called Ethenamine, N-methyl-1-(methylthio)-2-nitro-, and it can also be named as N-Methyl-1-(methylthio)-2-nitrovinylamine. With the molecular formula of C₄H₈N₂O₂S, its product categories are Anilines, Aromatic Amines and Nitro Compounds; Organic Building Blocks; Sulfides/Disulfides; Sulfur Compounds. The CAS registry number of this chemical is 61832-41-5. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Ethenamine, N-methyl-1-(methylthio)-2-nitro- can be summarised as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.64; (8)ACD/KOC (pH 7.4): 30.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 74.36 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 38.09 cm³; (15)Molar Volume: 123.5 cm³; (16)Polarizability: 15.1×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.199 g/cm³; (19)Flash Point: 96.8 °C; (20)Enthalpy of Vaporization: 47.33 kJ/mol; (21)Boiling Point: 236.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0471 mmHg at 25°C.

Production method of this chemical: The Ethenamine, N-methyl-1-(methylthio)-2-nitro- could be obtained by the reactants of N-methyl-dithiocarbonimidic acid dimethyl ester and nitromethane. This reaction needs the catalyst of zeolite (rare earth exchanged NaY). The yield is 50 %. In addition, this reaction should be taken for 48 hours. The other condition is heating.

Uses of this chemical: The Ethenamine, N-methyl-1-(methylthio)-2-nitro- could react with aziridine, and obtain the 2-(b-methylthioethyl)amino-2-methylamino-1-nitroethene. This reaction needs the solvent of H₂O. The yield is 73 %. In addition, this reaction should be taken for 1.5 hours at the temperature of 80-90 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)C=C(SC)NC
2.InChI: InChI=1/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3
3.InChIKey: YQFHPXZGXNYYLD-UHFFFAOYAW

Product Name

N-Methyl-1-(methylthio)-2-nitroethylen-1-amine

Synthetic route

N-Methyl-1-(methylthio)-2-nitroethylen-1-amine Specification

Related Products

Hot Products