1-(Butylamino)anthraquinone

Base Information

• Chemical Name: 1-(Butylamino)anthraquinone
• CAS No.: 129-45-3
• Molecular Formula: C18H17 N O2
• Molecular Weight: 279.338
• Hs Code.: 2922399090
• European Community (EC) Number: 204-948-8
• NSC Number: 509654
• UNII: I667G836EC
• DSSTox Substance ID: DTXSID6059603
• Nikkaji Number: J184.369I
• Wikidata: Q81988884
• Mol file: 129-45-3.mol

Synonyms:1-(Butylamino)anthraquinone;129-45-3;1-(butylamino)anthracene-9,10-dione;Anthraquinone, 1-(butylamino)-;9,10-Anthracenedione, 1-(butylamino)-;I667G836EC;EINECS 204-948-8;NSC 509654;NSC-509654;NSC509654;1-butylaminoanthraquinone;9, 1-(butylamino)-;1-butylamino anthraquinone;UNII-I667G836EC;SCHEMBL6291460;DTXSID6059603;1-(BUTYLAMINO)-9,10-ANTHRACENEDIONE

Chemical Property of 1-(Butylamino)anthraquinone

Chemical Property:

• Vapor Pressure: 1.41E-09mmHg at 25°C
• Boiling Point: 485.5°Cat760mmHg
• Flash Point: 183.3°C
• PSA: 46.17000
• Density: 1.224g/cm³
• LogP: 3.74700
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 279.125928785
• Heavy Atom Count: 21
• Complexity: 406

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

Technology Process of 1-(Butylamino)anthraquinone

There total 18 articles about 1-(Butylamino)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: 92.0%

1-bromo-butane (109-65-9) + 1-amino-9,10-anthracenedione (82-45-1) → 1-butylamino-9,10-anthraquinone (129-45-3)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; potassium carbonate; In benzene; at 80 ℃; for 4h;

DOI:10.1080/00397919108021031

Reference yield: 52.0%

1-iodo-butane (542-69-8) + 1-amino-9,10-anthracenedione (82-45-1) → 1-butylamino-9,10-anthraquinone (129-45-3)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 30 ℃; for 1h;

DOI:10.1246/cl.1981.1789

Reference yield: 32.1%

1-nitroanthraquinone (82-34-8) + N-butylamine (109-73-9,85404-21-3) → 1-butylamino-9,10-anthraquinone (129-45-3)

Guidance literature:

In dimethyl sulfoxide; at 20 ℃; for 1h;

upstream raw materials:

1-chloroanthracene-9,10-dione

dibutylamine

N-butylamine

1-amino-4-bromo-9,10-anthracenedione

Refernces

• 1、 Kumar, Ashwani,Kumar, Subodh. "Anthroneamine based chromofluorogenic probes for Hg2+ detection in aqueous solution". . p. 2030 - 2034. Retrieved 2012.
• 2、 Sun, Tao,Zhang, Huacheng,Yan, Hui,Li, Jianye,Cheng, Guanghui,Hao, Aiyou,Qiao, Hongwei,Xin, Feifei. "Sensitive fluorescent vesicles based on the supramolecular inclusion of β-cyclodextrins with N-alkylamino-L-anthraquinone". experimental part. p. 351 - 364. Retrieved 2012/04/17.