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CAS No.: | 61832-41-5 |
---|---|
Name: | N-Methyl-1-(methylthio)-2-nitroethylen-1-amine |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C4H8N2O2S |
Molecular Weight: | 148.186 |
Synonyms: | 1-Methylthio-1-methylamino-2-nitroethylene; |
EINECS: | 263-266-9 |
Density: | 1.199 g/cm3 |
Melting Point: | 112-118 °C(lit.) |
Boiling Point: | 236.5 °C at 760 mmHg |
Flash Point: | 96.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 83.15000 |
LogP: | 1.55850 |
methylamine
1,1-di(methylsulfanyl)-2-nitroethylene
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine
Conditions | Yield |
---|---|
In ethanol for 5h; Reflux; | 75% |
methylamine hydrochloride
1,1-di(methylsulfanyl)-2-nitroethylene
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane |
1-(n-methylsulfinyl)-1-(n-methylthio)-2-nitroethene
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine
Conditions | Yield |
---|---|
With methylamine In methanol |
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine
benzaldehyde
N,1-dimethyl-6-(methylthio)-3,5-dinitro-4-phenyl-1,4-dihydropyridin-2-amine
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% |
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine
3-methoxy-2-hydroxybenzaldehyde
N-[8-methoxy-4-(methylsulfanyl)-3-nitro-4H-2-chromenyl]-N-methylamine
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% |
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine
ethyl acetoacetate
2-methylphenyl aldehyde
phenylhydrazine
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In ethanol Reflux; | 96% |
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine
3,4,5-trimethoxy-benzaldehyde
β-naphthol
Conditions | Yield |
---|---|
In ethanol; water at 60℃; for 0.583333h; Green chemistry; | 96% |
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine
4-methoxy-benzaldehyde
β-naphthol
Conditions | Yield |
---|---|
In ethanol; water at 60℃; for 0.6h; Green chemistry; | 96% |
2,7-Dihydroxynaphthalene
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine
4-methoxy-benzaldehyde
Conditions | Yield |
---|---|
In ethanol; water at 60℃; for 0.583333h; Green chemistry; | 96% |
(E-)-N-methyl-1-(methylthio)-2-nitroethanamine
4-ethoxybenzaldehyde
β-naphthol
Conditions | Yield |
---|---|
In ethanol; water at 60℃; for 0.583333h; Green chemistry; | 96% |
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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