1-Amino-4-anilino-2-bromoanthraquinone

Base Information

• Chemical Name: 1-Amino-4-anilino-2-bromoanthraquinone
• CAS No.: 1564-71-2
• Molecular Formula: C20H13 Br N2 O2
• Molecular Weight: 393.239
• Hs Code.: 2922399090
• European Community (EC) Number: 216-361-4
• NSC Number: 128427
• UNII: 45RYZ4FQ4A
• DSSTox Substance ID: DTXSID6061787
• Nikkaji Number: J53.435H
• Wikidata: Q81989669
• Mol file: 1564-71-2.mol

Synonyms:1564-71-2;1-Amino-4-anilino-2-bromoanthraquinone;1-Amino-2-bromo-4-(phenylamino)anthraquinone;1-amino-4-anilino-2-bromoanthracene-9,10-dione;Anthraquinone, 1-amino-4-anilino-2-bromo-;9,10-Anthracenedione, 1-amino-2-bromo-4-(phenylamino)-;45RYZ4FQ4A;EINECS 216-361-4;NSC 128427;NSC-128427;C20H13BrN2O2;1-Amino-2-bromo-4-(phenylamino)anthracene-9,10-dione;NSC128427;UNII-45RYZ4FQ4A;DTXSID6061787;SCHEMBL11172913;C20-H13-Br-N2-O2;9, 1-amino-2-bromo-4-(phenylamino)-;1-AMINO-2-BROMO-4-(PHENYLAMINO)-9,10-ANTHRACENEDIONE

Chemical Property of 1-Amino-4-anilino-2-bromoanthraquinone

Chemical Property:

• Vapor Pressure: 1.24E-13mmHg at 25°C
• Melting Point: 230 °C(Solv: toluene (108-88-3))
• Boiling Point: 584.1°Cat760mmHg
• PKA: -1.60±0.20(Predicted)
• Flash Point: 307.1°C
• PSA: 72.19000
• Density: 1.614g/cm³
• LogP: 5.20450
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 392.01604
• Heavy Atom Count: 25
• Complexity: 534

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br

Technology Process of 1-Amino-4-anilino-2-bromoanthraquinone

There total 4 articles about 1-Amino-4-anilino-2-bromoanthraquinone 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: 85.2%

1-amino-2, 4-dibromoanthraquinone (81-49-2) + aniline (62-53-3) → 1-amino-2-bromo-4-phenylaminoanthraquinone (1564-71-2)

Guidance literature:

With basic copper carbonate powder; potassium acetate; at 130 - 140 ℃; for 1h;

DOI:10.1021/je00038a034

Reference yield: 85.0%

1-amino-2-bromoanthraquinone (3300-23-0) + aniline (62-53-3) → 1-amino-2-bromo-4-phenylaminoanthraquinone (1564-71-2)

Guidance literature:

With aluminium trichloride; Ambient temperature;

Reference yield:

1-amino-9,10-anthracenedione (82-45-1) → 1-amino-2-bromo-4-phenylaminoanthraquinone (1564-71-2)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine

With bromine;

upstream raw materials:

1-amino-2, 4-dibromoanthraquinone

aniline

1-amino-2-bromoanthraquinone

1-amino-9,10-anthracenedione

Downstream raw materials:

1-Amino-4-phenylamino-2-p-tolyloxy-anthraquinone

3-bromo-5-phenylamino-6H-anthra[1,9-cd]isoxazol-6-one

3-Morpholin-4-yl-5-phenylamino-anthra[1,9-cd]isoxazol-6-one

5-Phenylamino-3-piperidin-1-yl-anthra[1,9-cd]isoxazol-6-one

Refernces

• 1、 Ukponmwan,Greenhalgh,Peters. "PHYSICAL CHARACTERISTICS OF SYNTHESIZED 1-AMINO-4-(ARYLAMINO)ANTHRAQUINONE 2-ETHER DYES FOR SYNTHETIC-POLYMER FIBERS.". . p. 482 - 483. Retrieved 2007/10/02.