9-Aminoanthracene

Base Information

• Chemical Name: 9-Aminoanthracene
• CAS No.: 779-03-3
• Molecular Formula: C14H11N
• Molecular Weight: 193.248
• Hs Code.: 2921499090
• European Community (EC) Number: 811-778-3
• NSC Number: 125517
• UNII: E3EA4FE3SX
• DSSTox Substance ID: DTXSID60228526
• Nikkaji Number: J60.454B
• Wikidata: Q27122085
• Metabolomics Workbench ID: 57436
• ChEMBL ID: CHEMBL82266
• Mol file: 779-03-3.mol

Synonyms:9-Aminoanthracene;anthracen-9-amine;779-03-3;9-Anthracenamine;9-ANTHRAMINE;10-Anthracylamine;5-Aminoanthracene;9-anthrylamine;CCRIS 7001;E3EA4FE3SX;NSC 125517;BRN 2209405;CHEBI:50472;NSC-125517;4-12-00-03437 (Beilstein Handbook Reference);9-aminoanthracen;Anthracen-9-Ylamine;anthracen-9-yl-amine;UNII-E3EA4FE3SX;YSWG602;CHEMBL82266;SCHEMBL1264430;DTXSID60228526;MFCD00452690;NSC125517;AKOS015854634;AS-56568;LS-20414;CS-0169911;FT-0658971;T71332;A839284;Q27122085

Chemical Property of 9-Aminoanthracene

Chemical Property:

• Vapor Pressure: 1.11E-06mmHg at 25°C
• Melting Point: 170°C(lit.)
• Boiling Point: 402.2°Cat760mmHg
• PKA: 4.21±0.30(Predicted)
• Flash Point: 219.9°C
• PSA: 26.02000
• Density: 1.208g/cm³
• LogP: 4.15640
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 193.089149355
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

98%,99%, ^*data from raw suppliers

Anthracen-9-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2N

Technology Process of 9-Aminoanthracene

There total 4 articles about 9-Aminoanthracene 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: 85.0%

9-nitroanthracene (602-60-8) → 9-aminoanthracene (779-03-3) + acetaldehyde (75-07-0,9002-91-9)

Guidance literature:

With ethanol; titanium(IV) oxide; for 0.25h; Irradiation;

DOI:10.1021/jo00055a033

Reference yield:

9-nitroanthracene (602-60-8) → anthracene (120-12-7) + 9-aminoanthracene (779-03-3)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 4h; under 750.075 Torr; chemoselective reaction;

DOI:10.1002/adsc.201000945

Reference yield:

9,10-dihydro-9-Anthracenamine (97825-91-7) → anthracene (120-12-7) + 9-aminoanthracene (779-03-3)

Guidance literature:

In dibutyl ether; at 423 ℃; Rate constant; Thermodynamic data; Kinetics; E_a;

DOI:10.1246/bcsj.66.1451

upstream raw materials:

9,10-dihydro-9-Anthracenamine

9,10-phenanthrenequinone

9-nitroanthracene

Downstream raw materials:

9-(N-phenylamino)anthracene

N,N-diphenyl-9-anthracenamime

10-bromo-9-(N,N-diphenylamino)-anthracene

Refernces

• 1、 Yasuda, Masahide,Harada, Takamitsu,Ansho, Yasuhiro,Shima, Kensuke. "Dehydroamination Reaction of 9-Amino-9,10-dihydrophenanthrene and Related Compounds by Thermolysis". . p. 1451 - 1455. Retrieved 2007/10/02.