2-(1,1-Dimethylpropyl)anthraquinone

Base Information

• Chemical Name: 2-(1,1-Dimethylpropyl)anthraquinone
• CAS No.: 32588-54-8
• Molecular Formula: C19H18O2
• Molecular Weight: 278.351
• Hs Code.: 2914690090
• European Community (EC) Number: 251-116-5
• UNII: PWR6GZ7DFW
• DSSTox Substance ID: DTXSID8044917
• Nikkaji Number: J319.404C
• Wikidata: Q27286793
• ChEMBL ID: CHEMBL1412015
• Mol file: 32588-54-8.mol

Synonyms:32588-54-8;2-(1,1-Dimethylpropyl)anthraquinone;2-tert-Amylanthraquinone;2-(tert-Pentyl)anthracene-9,10-dione;2-tert-Pentylanthraquinone;Anthraquinone, 2-tert-pentyl-;2-(2-methylbutan-2-yl)anthracene-9,10-dione;9,10-Anthracenedione, 2-(1,1-dimethylpropyl)-;PWR6GZ7DFW;UNII-PWR6GZ7DFW;EINECS 251-116-5;2-tert-pentylanthracene-9,10-dione;2-(1,1-Dimethyl-propyl)-anthraquinone;2-t-amylanthraquinone;MLS000561775;SCHEMBL187755;CHEMBL1412015;DTXSID8044917;HMS2527D18;MFCD00082163;AKOS000668567;NCGC00245006-01;AC-26814;LS-20328;SMR000173833;CS-0289079;FT-0639036;MLS-0214007.0002;W-202339;Q27286793;Z56763520

Chemical Property of 2-(1,1-Dimethylpropyl)anthraquinone

Chemical Property:

• Appearance/Colour: Yellowish crystal
• Melting Point: 60-65 °C
• Boiling Point: 432.9 °C at 760 mmHg
• Flash Point: 161.6 °C
• PSA: 34.14000
• Density: 1.148 g/cm³
• LogP: 4.14960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 278.130679813
• Heavy Atom Count: 21
• Complexity: 437

Purity/Quality:

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

2-(tert-Pentyl)anthracene-9,10-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Technology Process of 2-(1,1-Dimethylpropyl)anthraquinone

There total 7 articles about 2-(1,1-Dimethylpropyl)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: 97.9%

2-(tert-pentyl)anthracene → 2-tert-amylanthraquinone (32588-54-8)

Guidance literature:

With dihydrogen peroxide; acetic acid; at 20 - 80 ℃; for 8h; Reagent/catalyst; Temperature;

Reference yield: 65.0%

2-(4'-tert-amylbenzoyl)-benzoic acid (64164-99-4) → 2-tert-amylanthraquinone (32588-54-8)

Guidance literature:

With phosphorus pentoxide; at 120 ℃; for 4.5h;

Reference yield: 55.0%

→ 4-tert-amyl-2-benzylbenzaldehyde + 2-tert-amylanthraquinone (32588-54-8)

Guidance literature:

upstream raw materials:

2-tert-amylbutadiene

[1,4]naphthoquinone

2-(4'-tert-amylbenzoyl)-benzoic acid

tery-amylbenzene

Refernces

• 1、 -. "PROCESS FOR PRODUCING SUBSTITUTED ANTHRAQUINONE". Page/Page column 8-12. . Retrieved 2020/06/10.
• 2、 -. "Method for synthesizing 2-alkylanthraquinone". Paragraph 0020; 0022. . Retrieved 2019/10/04.