16,17-Bis(decyloxy)violanthrone

Base Information

• Chemical Name: 16,17-Bis(decyloxy)violanthrone
• CAS No.: 71550-33-9
• Molecular Formula: C₅₄H₅₆O₄
• Molecular Weight: 769.036
• European Community (EC) Number: 275-606-3
• DSSTox Substance ID: DTXSID3072377
• Nikkaji Number: J289.203K
• Wikidata: Q82000391
• Mol file: 71550-33-9.mol

Synonyms:16,17-Bis(decyloxy)violanthrone;71550-33-9;EINECS 275-606-3;16,17-bis(decyloxy)anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione;Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-bis(decyloxy)-;30,34-didecoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione;Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-dione, 16,17-bis(decyloxy)-;SCHEMBL459586;DTXSID3072377;AMY37419;C54H56O4;C54-H56-O4;A866417;Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione,16,17-bis(decyloxy)-;Dinaphtho[1,2,3-cd:3',2',1'-lm]perylene-5,10-dione, 16,17-bis(decyloxy)-

Chemical Property of 16,17-Bis(decyloxy)violanthrone

Chemical Property:

• Refractive Index: 1.665
• PSA: 52.60000
• Density: 1.179g/cm³
• LogP: 15.19900
• XLogP3: 17
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 768.41786026
• Heavy Atom Count: 58
• Complexity: 1240

Purity/Quality:

99%, ^*data from raw suppliers

16,17-Bis(decyloxy)anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCCCC

Technology Process of 16,17-Bis(decyloxy)violanthrone

There total 2 articles about 16,17-Bis(decyloxy)violanthrone 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: 74.0%

1-bromo dodecane (112-29-8) + 16,17-dihydroxyviolanthrene-5,10-dione (128-59-6) → 16,17-didecyloxyviolanthrone (71550-33-9)

Guidance literature:

With 18-crown-6 ether; potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 5h;

Reference yield:

Jade Green XBN (128-58-5) → 16,17-didecyloxyviolanthrone (71550-33-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dichloromethane / 1 h / 20 °C

1.2: 16 h / 20 °C / Reflux; Cooling with ice

2.1: potassium carbonate; 18-crown-6 ether / N,N-dimethyl-formamide / 5 h / 80 °C

With 18-crown-6 ether; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide; 2.1: |Williamson Ether Synthesis;

upstream raw materials:

Jade Green XBN

1-bromo dodecane

16,17-dihydroxyviolanthrene-5,10-dione

Refernces