N,3-dimethyl-4-nitroaniline

Base Information

• Chemical Name: N,3-dimethyl-4-nitroaniline
• CAS No.: 52177-10-3
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• DSSTox Substance ID: DTXSID80556555
• Nikkaji Number: J38.252C
• Wikidata: Q82438136
• Mol file: 52177-10-3.mol

Synonyms:N,3-dimethyl-4-nitroaniline;52177-10-3;Benzenamine, N,3-dimethyl-4-nitro-;SCHEMBL9136568;3,N-dimethyl-4-nitrobenzenamine;DTXSID80556555;N,3-Dimethyl-4-nitrobenzeneamine;N-methyl-3-methyl-4-nitroaniline;CCA17710;MFCD12169124;AKOS009469904;BS-44626;CS-0199149;E74598;EN300-105639;Z419009538

Chemical Property of N,3-dimethyl-4-nitroaniline

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)NC)[N+](=O)[O-]

Technology Process of N,3-dimethyl-4-nitroaniline

There total 9 articles about N,3-dimethyl-4-nitroaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.7%

5-Fluoro-2-nitrotoluene (446-33-3) + methylamine hydrochloride (593-51-1) → methyl(3-methyl-4-nitrophenyl)amine (52177-10-3)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 100 ℃;

Reference yield: 65.0%

N,N-dimethyl-m-toluidine (121-72-2) → 3-methyl-N-nitroso-N-methylaniline (17485-25-5) + methyl(3-methyl-4-nitrophenyl)amine (52177-10-3)

Guidance literature:

With tert.-butylnitrite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In acetonitrile; at 20 ℃; for 2.5h;

DOI:10.1039/c7gc02775c

Reference yield: 38.0%

C8H11N2O2(1+)*ClO4(1-) (1335201-75-6) → methyl(3-methyl-4-nitrophenyl)amine (52177-10-3) + 3-(N-methylamino)-4-nitrotoluene (65081-42-7)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 48h;

DOI:10.1007/s10593-011-0783-3

upstream raw materials:

N-methyl-m-toluidine

piperidine

acetone

C₈H₁₁N₂O₂⁽¹⁺⁾*ClO₄^(1-)

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