Propionanilide, 2'-amino-2,2-dimethyl-5'-nitro-

Base Information

• Chemical Name: Propionanilide, 2'-amino-2,2-dimethyl-5'-nitro-
• CAS No.: 102129-00-0
• Molecular Formula: C11H15 N3 O3
• Molecular Weight: 237.258
• DSSTox Substance ID: DTXSID10144666
• Nikkaji Number: J156.665B
• Wikidata: Q83008914
• Mol file: 102129-00-0.mol

Synonyms:Propionanilide, 2'-amino-2,2-dimethyl-5'-nitro-;102129-00-0;2'-Amino-4(or 5)nitro-2,2-dimethylpropionanilide;N-(2-amino-5-nitrophenyl)-2,2-dimethylpropanamide;SCHEMBL4966134;DTXSID10144666;VAFOGELTEDKQPQ-UHFFFAOYSA-N;LS-124322;N-(2-Amino-5-nitrophenyl)-2,2-dimethylpropionamide

Chemical Property of Propionanilide, 2'-amino-2,2-dimethyl-5'-nitro-

Chemical Property:

• Vapor Pressure: 1.41E-08mmHg at 25°C
• Boiling Point: 458.1°Cat760mmHg
• Flash Point: 230.8°C
• Density: 1.274g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 237.11134135
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])N

Technology Process of Propionanilide, 2'-amino-2,2-dimethyl-5'-nitro-

There total 3 articles about Propionanilide, 2'-amino-2,2-dimethyl-5'-nitro- 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: 44.0%

pivaloyl chloride (3282-30-2) + 4-Nitrophenylene-1,2-diamine (99-56-9) → N-pivaloyl-2-amino-5-nitroaniline (102129-00-0)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃;

Reference yield:

Trimethylacetic acid (75-98-9) → N-pivaloyl-2-amino-5-nitroaniline (102129-00-0)

Guidance literature:

Multi-step reaction with 2 steps

1: N-methylmorpholine / tetrahydrofuran / 0.17 h / -15 °C

2: tetrahydrofuran / -15 - 20 °C

With 4-methyl-morpholine; In tetrahydrofuran; 1: Acylation / 2: Acylation;

DOI:10.1021/jo981985u

Reference yield:

4-Nitrophenylene-1,2-diamine (99-56-9) + C10H18O4 (646055-25-6) → N-pivaloyl-2-amino-5-nitroaniline (102129-00-0)

Guidance literature:

In tetrahydrofuran; at -15 - 20 ℃;

DOI:10.1021/jo981985u

upstream raw materials:

4-Nitrophenylene-1,2-diamine

C₁₀H₁₈O₄

Trimethylacetic acid

pivaloyl chloride

Downstream raw materials:

N-(2,5-diaminophenyl)-2,2-dimethylpropanamide

N-thiopivaloyl-2-amino-5-nitroaniline