2-((4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid

Base Information

• Chemical Name: 2-((4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid
• CAS No.: 83929-40-2
• Molecular Formula: C21H13 Br N2 O4
• Molecular Weight: 437.249
• European Community (EC) Number: 281-336-7
• DSSTox Substance ID: DTXSID90232818
• Nikkaji Number: J332.908I
• Wikidata: Q83113989
• Mol file: 83929-40-2.mol

Synonyms:83929-40-2;EINECS 281-336-7;2-((4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid;2-[(4-AMINO-3-BROMO-9,10-DIHYDRO-9,10-DIOXO-1-ANTHRYL)AMINO]BENZOIC ACID;C21H13BrN2O4;DTXSID90232818;C21-H13-Br-N2-O4;2-[(4-Amino-3-bromo-9,10-dihydro-9,10-dioxoanthracen)-1-ylamino]benzoic acid

Chemical Property of 2-((4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid

Chemical Property:

• Vapor Pressure: 8.22E-18mmHg at 25°C
• Boiling Point: 650.5°C at 760 mmHg
• Flash Point: 347.2°C
• PSA: 109.49000
• Density: 1.707g/cm³
• LogP: 4.90270
• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 436.00587
• Heavy Atom Count: 28
• Complexity: 656

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=CC=C4C(=O)O)Br)N

Technology Process of 2-((4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid

There total 1 articles about 2-((4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid 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%

1-amino-2, 4-dibromoanthraquinone (81-49-2) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-((4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino)benzoic acid (83929-40-2)

Guidance literature:

With potassium acetate; copper diacetate; In pentan-1-ol; at 95 ℃; for 0.666667h; Microwave irradiation;

DOI:10.1016/j.dyepig.2016.03.023

Reference yield:

2-((4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino)benzoic acid (83929-40-2) → 6-amino-7-bromo-13H-naphth[2,3-c]acridine-5,8,14-trione (77061-50-8)

Guidance literature:

With chlorosulfonic acid;

Reference yield:

2-((4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino)benzoic acid (83929-40-2) → C21H11BrN2O4

Guidance literature:

With sodium azide; n-Amyl nitrite; acetic acid; at 20 ℃; for 0.5h;

upstream raw materials:

1-amino-2, 4-dibromoanthraquinone

anthranilic acid

Downstream raw materials:

6-amino-7-bromo-13H-naphth[2,3-c]acridine-5,8,14-trione