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41939-61-1

41939-61-1 Structure

41939-61-1 Structure
IdentificationBack Directory
[Name]

N1-Methyl-4-nitro-o-phenyldiamin
[CAS]

41939-61-1
[Synonyms]

41939-61-1
2-Methylamino-5-nitroaniline
N1-Methyl-4-Nitro-O-Phenyliamin
2-amino-4-nitro-N1-methylaniline
N1-Methyl-4-nitro-o-phenyldiamin
N1-Methyl-4-nitro-o-phenyldiaMine
N-Methyl-4-nitro-1,2-benzenediamine
1-Methyl-4-nitrobenzene-1,2-diaMine
3-Amino-4-(methylamino)nitrobenzene
N-Methyl-4-Nitro benzene-1,2-Diamine
N1-Methyl-4-nitrobenzene-1,2-diamine
N1-Methyl-4-nitro-o-phenylenediaMine
1,2-Diamino-N1-methyl-4-nitrobenzene
2-Amino-1-methylamino-4-nitrobenzene
1-(Methylamino)-4-nitrobenzen-2-amine
1-N-Methyl-4-nitrobenzene-1,2-diaMine
N’-Methyl-4-nitrophenylene-1,2-diamine
N~1~-methyl-4-nitro-1,2-benzenediamine
N1-Methyl-4-nitro-1,2-phenylenediamine
1,2-benzenediamine, N~1~-methyl-4-nitro-
N1-Methyl-4-nitro-1,2-phenylenediamine >
N~1~-Methyl-4-nitro-1,2-benzenediaMine, >95%
N1-Methyl-4-nitro-o-phenyldiamin ISO 9001:2015 REACH
N1-Methyl-4-nitro-1,2-phenylenediamine
[EINECS(EC#)]

808-144-3
[Molecular Formula]

C7H9N3O2
[MDL Number]

MFCD00156607
[MOL File]

41939-61-1.mol
[Molecular Weight]

167.167
Chemical PropertiesBack Directory
[Melting point ]

174-176°
[Boiling point ]

366.8±32.0 °C(Predicted)
[density ]

1.358±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.23±0.10(Predicted)
[color ]

Red Orange to Brown
[InChI]

InChI=1S/C7H9N3O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,8H2,1H3
[InChIKey]

MNIKERWISBANET-UHFFFAOYSA-N
[SMILES]

C1(NC)=CC=C([N+]([O-])=O)C=C1N
[CAS DataBase Reference]

41939-61-1
Safety DataBack Directory
[RIDADR ]

UN 2811 6.1/PG III
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

2921511990
Hazard InformationBack Directory
[Chemical Properties]

Red Powder
[Uses]

N’-Methyl-4-nitrophenylene-1,2-diamine (cas# 41939-61-1) is a compound useful in organic synthesis.
[Synthesis]

N-methyl-2,4-dinitroaniline

2044-88-4

N1-Methyl-4-nitro-o-phenyldiamin

41939-61-1

Step 2: Pd/C (10%) was added to a solution of N-methyl-2,4-dinitroaniline (12.14 g, 60.9 mmol) in acetonitrile (35 mL) and triethylamine (36.4 mL). The reaction mixture was cooled to -15 °C, followed by dropwise addition of formic acid (11.1 mL) to a solution of acetonitrile (35 mL). The reaction mixture was refluxed for 3 hours and then thermally filtered. The filtrate was concentrated under reduced pressure to afford N1-methyl-4-nitrobenzene-1,2-diamine (Product 2) as a red liquid in >95% yield.

[References]

[1] Organic and Biomolecular Chemistry, 2007, vol. 5, # 16, p. 2567 - 2571
[2] Patent: WO2010/85377, 2010, A2. Location in patent: Page/Page column 41
[3] Journal of the Indian Chemical Society, 1988, vol. 65, # 8, p. 567 - 570
[4] Patent: EP2769723, 2014, A1. Location in patent: Paragraph 0160-0161
[5] Patent: WO2014/128206, 2014, A1. Location in patent: Page/Page column 51
Spectrum DetailBack Directory
[Spectrum Detail]

N1-Methyl-4-nitro-o-phenyldiamin(41939-61-1)1HNMR
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