2,3-Difluoro-N-methyl-6-nitroaniline

Base Information

• Chemical Name: 2,3-Difluoro-N-methyl-6-nitroaniline
• CAS No.: 170432-54-9
• Molecular Formula: C7H6F2N2O2
• Molecular Weight: 188.134
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID70570947
• Mol file: 170432-54-9.mol

Synonyms:2,3-Difluoro-N-methyl-6-nitroaniline;170432-54-9;SCHEMBL944514;DTXSID70570947;QTMMIYSDZZPQFA-UHFFFAOYSA-N;MFCD16787128;AKOS011824044;BS-25106;CS-0209209;EN300-3020829

Chemical Property of 2,3-Difluoro-N-methyl-6-nitroaniline

Chemical Property:

• PSA: 57.85000
• LogP: 2.51090
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 188.03973376
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

2,3-Difluoro-N-methyl-6-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=CC(=C1F)F)[N+](=O)[O-]

Technology Process of 2,3-Difluoro-N-methyl-6-nitroaniline

There total 2 articles about 2,3-Difluoro-N-methyl-6-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: 94.0%

2,3,4-trifluoronitrobenzene (771-69-7) + methylamine hydrochloride (593-51-1) → 2,3-difluoro-N-methyl-6-nitroaniline (170432-54-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 70 ℃; for 2h; Inert atmosphere;

Reference yield: 73.0%

2-amino-3,4-difluoronitro-benzene (211693-73-1) + dimethyl sulfate (77-78-1) → 2,3-difluoro-N-methyl-6-nitroaniline (170432-54-9)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In toluene; at 20 ℃;

DOI:10.1002/ejoc.202100603

Reference yield: 83.0%

2,6-dimethyl-3-hydroxypyridine (1122-43-6) + 2,3-difluoro-N-methyl-6-nitroaniline (170432-54-9) → 3-[(2,6-dimethylpyridin-3-yl)oxy]-2-fluoro-N-methyl-6-nitroaniline

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 10h; Inert atmosphere; Alkaline conditions;

DOI:10.1021/acsmedchemlett.8b00645

upstream raw materials:

2-amino-3,4-difluoronitro-benzene

dimethyl sulfate

2,3,4-trifluoronitrobenzene

methylamine hydrochloride

Downstream raw materials:

N-(diphenylmethyl)-7-fluoro-1,2-dimethyl-1H-benzimidazol-6-amine

N¹-(diphenylmethyl)-2-fluoro-N³-methyl-4-nitrobenzene-1,3-diamine

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