N,N-Dimethyl-2-nitroaniline

Base Information

• Chemical Name: N,N-Dimethyl-2-nitroaniline
• CAS No.: 610-17-3
• Molecular Formula: C8H10 N2 O2
• Molecular Weight: 166.18
• Hs Code.: 2921430090
• European Community (EC) Number: 210-210-6
• DSSTox Substance ID: DTXSID9060578
• Nikkaji Number: J191.431F
• Wikidata: Q72494665
• Mol file: 610-17-3.mol

Synonyms:N,N-Dimethyl-2-nitroaniline;610-17-3;Benzenamine, N,N-dimethyl-2-nitro-;Dimethyl-(2-nitro-phenyl)-amine;N,N-Dimethyl-2-nitrobenzenamine;N,N-Dimethyl-o-nitroaniline;2-Nitro-N,N-dimethylaniline;o-(Dimethylamino)nitrobenzene;BRN 0909276;EINECS 210-210-6;ANILINE, N,N-DIMETHYL-o-NITRO-;dimethyl-(2-nitrophenyl)-amine;NN-Dimethyl-2-nitroaniline;Nitrodimethylanilin;2-Nitro-NN-dimethylaniline;dimethyl (2-nitrophenyl)amine;N,N-dimethyl-2-nitro-aniline;SCHEMBL1509290;DTXSID9060578;NPZDNLCYFLDJFA-UHFFFAOYSA-;MFCD00043602;AKOS006228944;DS-2474;PS-4405;AM101016;LS-19759;CS-0019247;FT-0667484;F1911-3584

Chemical Property of N,N-Dimethyl-2-nitroaniline

Chemical Property:

• Vapor Pressure: 0.0143mmHg at 25°C
• Melting Point: 57-58oC
• Refractive Index: 1.6102
• Boiling Point: 257.7oC at 760 mmHg
• PKA: 2.68±0.18(Predicted)
• Flash Point: 109.6oC
• PSA: 49.06000
• Density: 1.193g/cm3
• LogP: 2.18400
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

N,N-Dimethyl-2-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=CC=C1[N+](=O)[O-]
• Uses: N,N-Dimethyl-2-nitroaniline (cas# 610-17-3) is a compound useful in organic synthesis.

Technology Process of N,N-Dimethyl-2-nitroaniline

There total 34 articles about N,N-Dimethyl-2-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: 100.0%

→ N,N-dimethyl-2-nitro-benzenamine (610-17-3)

Guidance literature:

Reference yield: 98.0%

dimethyl amine (124-40-3) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → N,N-dimethyl-2-nitro-benzenamine (610-17-3)

Guidance literature:

In ethanol; at 0 - 50 ℃; for 0.5h;

DOI:10.1021/ol3031704

Reference yield: 86.0%

N,N,N,N,N,N-hexamethylphosphoric triamide (680-31-9) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) + 6-(N-ethylamino)-3-methyluracil (58669-01-5) → bis(6-Ethylamino-3-methyluracil-5-yl)methane (108005-13-6) + 3-methyl-10-ethylisoalloxazine (58668-94-3) + N,N-dimethyl-2-nitro-benzenamine (610-17-3)

Guidance literature:

at 160 ℃; for 3h; Product distribution; other solvents (DMF, sulfolane, N-methylpyrrolidone), other time, K₂CO₃ as reagent;

upstream raw materials:

N,N-dimethylaniline N-oxide

N,N-dimethyl-aniline

N,N-dimethylammonium chloride

2-Chloronitrobenzene

Downstream raw materials:

2-chloro-N-(2-(dimethylamino)phenyl)acetamide

3,4-dihydro-4-methyl-2(1H)-quinoxalinone

1-methyl-1H-benzo[d][1,2,3]triazole

N-nitroso N-methyl-N-(2-nitroaniline)

Refernces

• 1、 -. "NITRATION". Page/Page column 36; 41; 46; 64; 37; 43; 48; 68. . Retrieved 2020/05/28.
• 2、 -. "Mechanical force under the action of the nitration of aromatic compounds of nitrate method (by machine translation)". Paragraph 0062; 0063. . Retrieved 2018/09/11.