Benzenamine, N-(2-methyl-2-nitropropyl)-

Base Information

• Chemical Name: Benzenamine, N-(2-methyl-2-nitropropyl)-
• CAS No.: 5448-31-7
• Molecular Formula: C10H14 N2 O2
• Molecular Weight: 194.233
• Hs Code.: 2921430090
• NSC Number: 17722
• DSSTox Substance ID: DTXSID2063896
• Nikkaji Number: J421.767E
• Wikidata: Q81991079
• Mol file: 5448-31-7.mol

Synonyms:5448-31-7;Benzenamine, N-(2-methyl-2-nitropropyl)-;NSC 17722;AI3-28063;n-(2-methyl-2-nitropropyl)aniline;NSC17722;SCHEMBL3420454;DTXSID2063896;1-anilino-2-methyl-2-nitropropane;NSC-17722;AKOS040791675;N-(2-Methyl-2-nitropropyl)benzenamine

Chemical Property of Benzenamine, N-(2-methyl-2-nitropropyl)-

Chemical Property:

• Vapor Pressure: 0.000103mmHg at 25°C
• Boiling Point: 337.7°C at 760 mmHg
• Flash Point: 158°C
• PSA: 57.85000
• Density: 1.134g/cm³
• LogP: 2.75000
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.105527694
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CNC1=CC=CC=C1)[N+](=O)[O-]

Technology Process of Benzenamine, N-(2-methyl-2-nitropropyl)-

There total 4 articles about Benzenamine, N-(2-methyl-2-nitropropyl)- 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: 67.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-nitropropane (79-46-9) + aniline (62-53-3) → N-(2-methyl-2-nitropropyl)aniline (5448-31-7)

Guidance literature:

With N-benzyl-trimethylammonium hydroxide; In methanol; water; for 7h; Heating / reflux;

Reference yield: 61.0%

N-phenyl-1H-benzotriazolyl-1-methanamine (62001-29-0) + sodium 2-nitropropane (24163-39-1) → N-(2-methyl-2-nitropropyl)aniline (5448-31-7)

Guidance literature:

In ethanol; at 20 ℃; for 24h; Product distribution; Mechanism; other sodium alkylnitronates, N-(α-amidoalkyl)- and N-(α-aminoalkyl)- benzotriazoles; var. solvent, time, and temp.;

Reference yield:

2-nitro-2-methylpropanol (76-39-1) + aniline (62-53-3) → N-(2-methyl-2-nitropropyl)aniline (5448-31-7)

Guidance literature:

With tetrakis(2-hydroxyethyl)ammonium hydroxide;

DOI:10.1021/ja01205a006

upstream raw materials:

formaldehyd

2-nitropropane

aniline

2-nitro-2-methylpropanol

Downstream raw materials:

3,3,5,5-tetramethyl-1-phenylpiperazin-2-one