1-[(3-Aminopropyl)amino]anthraquinone

Base Information

• Chemical Name: 1-[(3-Aminopropyl)amino]anthraquinone
• CAS No.: 13556-29-1
• Molecular Formula: C17H16 N2 O2
• Molecular Weight: 280.32
• DSSTox Substance ID: DTXSID90869300
• Nikkaji Number: J375.991A
• Wikidata: Q81978192
• ChEMBL ID: CHEMBL134703
• Mol file: 13556-29-1.mol

Synonyms:13556-29-1;1-(3-aminopropylamino)anthracene-9,10-dione;HC RED NO. 8;SCHEMBL109325;CHEMBL134703;DTXSID90869300;MLVKRZHLEQPZTP-UHFFFAOYSA-N;1-[(3-Aminopropyl)amino]anthraquinone;1-((3-aminopropyl)amino)-9,10-anthraquinone;1-[(3-aminopropyl)amino]-9,10-anthracenedione;1-[(3-AMINOPROPYL)AMINO]ANTHRACENE-9,10-DIONE

Chemical Property of 1-[(3-Aminopropyl)amino]anthraquinone

Chemical Property:

• PSA: 72.19000
• LogP: 2.99600
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 280.121177757
• Heavy Atom Count: 21
• Complexity: 410

Purity/Quality:

98.5% ^*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(=CC=C3)NCCCN

Technology Process of 1-[(3-Aminopropyl)amino]anthraquinone

There total 4 articles about 1-[(3-Aminopropyl)amino]anthraquinone 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: 77.0%

1-chloroanthracene-9,10-dione (82-44-0) + Trimethylenediamine (109-76-2,54018-94-9) → 1-[(3-aminopropyl)amino]-9,10-anthracenedione (13556-29-1)

Guidance literature:

In toluene; for 18h; Heating;

DOI:10.1016/j.bcp.2005.12.039

Reference yield:

1-[(3-aminopropyl)amino]anthraquinone acetate → 1-[(3-aminopropyl)amino]-9,10-anthracenedione (13556-29-1)

Guidance literature:

With triethylamine; In chloroform; water;

Reference yield:

[3-(9,10-Dioxo-9,10-dihydro-anthracen-1-ylamino)-propyl]-carbamic acid tert-butyl ester → 1-[(3-aminopropyl)amino]-9,10-anthracenedione (13556-29-1)

Guidance literature:

With hydrogenchloride; In methanol; for 0.5h; Heating;

DOI:10.1016/S0223-5234(99)80068-3

upstream raw materials:

1-chloroanthracene-9,10-dione

Trimethylenediamine

Downstream raw materials:

2-(4-{3-[3-(9,10-Dioxo-9,10-dihydro-anthracen-1-ylamino)-propylcarbamoyl]-propionylamino}-benzyl)-malonic acid di-tert-butyl ester