N1-Methyl-4-nitro-o-phenyldiamin Chemical Properties

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 Information

RIDADR 

UN 2811 6.1/PG III

HazardClass 

IRRITANT

PackingGroup 

III

HS Code 

2921511990

N1-Methyl-4-nitro-o-phenyldiamin Usage And Synthesis

Chemical Properties

Red Powder

Uses

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

Synthesis

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

N1-Methyl-4-nitro-o-phenyldiamin(41939-61-1)Related Product Information

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• TIMTEC-BB SBB006317