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

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Name

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

EINECS 263-266-9
CAS No. 61832-41-5 Density 1.199 g/cm3
PSA 83.15000 LogP 1.55850
Solubility N/A 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 N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 61832-41-5 (N-Methyl-1-(methylthio)-2-nitroethylen-1-amine) Hazard Symbols IrritantXi
Synonyms

1-Methylthio-1-methylamino-2-nitroethylene;

Article Data 18

N-Methyl-1-(methylthio)-2-nitroethylen-1-amine 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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With N-ethyl-N,N-diisopropylamine In ethanol Reflux;96%
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
ConditionsYield
In ethanol; water at 60℃; for 0.583333h; Green chemistry;96%
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
ConditionsYield
In ethanol; water at 60℃; for 0.6h; Green chemistry;96%
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
ConditionsYield
In ethanol; water at 60℃; for 0.583333h; Green chemistry;96%
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
ConditionsYield
In ethanol; water at 60℃; for 0.583333h; Green chemistry;96%

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

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