Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]-

Base Information

• Chemical Name: Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]-
• CAS No.: 56548-64-2
• Deprecated CAS: 83929-84-4
• Molecular Formula: C19H21BrN6O6
• Molecular Weight: 509.316
• European Community (EC) Number: 260-255-0
• DSSTox Substance ID: DTXSID6069117
• Nikkaji Number: J38.093H
• Mol file: 56548-64-2.mol

Synonyms:2-((2-bromo-4,6-dinitrophenyl)azo)-5-(diethylamino)-4-methoxyacetanilide;CI Disperse Blue 2

Chemical Property of Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]-

Chemical Property:

• Vapor Pressure: 1.82E-19mmHg at 25°C
• Refractive Index: 1.638
• Boiling Point: 700.4 °C at 760 mmHg
• PKA: 13.43±0.70(Predicted)
• Flash Point: 377.4 °C
• PSA: 157.93000
• Density: 1.54 g/cm³
• LogP: 6.61350
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 508.07059
• Heavy Atom Count: 32
• Complexity: 697

Purity/Quality:

99% ^*data from raw suppliers

DisperseBlue291 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC
• Uses: Disperse Blue 291 is a commercial disperse dye used in fabric dyes and printing. It is also used for metabolites and environmental testing.

Technology Process of Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]-

There total 3 articles about Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]- 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: 75.0%

3-acetylamino-6-methoxy-N,N-diethylaniline (19433-93-3) + 2-bromo-4,6-dinitroaniline (1817-73-8) → 2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyacetanilide (56548-64-2,83929-84-4)

Guidance literature:

2-bromo-4,6-dinitroaniline; With sulfuric acid; sodium nitrite;

3-acetylamino-6-methoxy-N,N-diethylaniline; Further stages.;

Reference yield:

nitrosylsulfuric acid (7782-78-7) + 3-acetylamino-6-methoxy-N,N-diethylaniline (19433-93-3) + 2-bromo-4,6-dinitroaniline (1817-73-8) → 2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyacetanilide (56548-64-2,83929-84-4)

Guidance literature:

nitrosylsulfuric acid; 2-bromo-4,6-dinitroaniline; In sulfuric acid; at 20 - 25 ℃; for 1h;

3-acetylamino-6-methoxy-N,N-diethylaniline; In H₂O; sulfamic acid; sulfuric acid; at 0 - 5 ℃; for 2h; pH=4 - 4.5;

Reference yield:

→ 2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyacetanilide (56548-64-2,83929-84-4)

Guidance literature:

With sodium hydroxide; In water; at 60 ℃; for 0.5h; pH=11;

With nitrosylsulfuric acid; sulfuric acid; at 40 ℃; for 6h;

In water; at 60 ℃; for 7.5h; Cooling with ice;

upstream raw materials:

3-acetylamino-6-methoxy-N,N-diethylaniline

2-bromo-4,6-dinitroaniline

nitrosylsulfuric acid