2-Amylanthraquinone

Base Information

• Chemical Name: 2-Amylanthraquinone
• CAS No.: 13936-21-5
• Molecular Formula: C19H18O2
• Molecular Weight: 278.351
• Hs Code.: 2914690090
• European Community (EC) Number: 237-711-2
• DSSTox Substance ID: DTXSID1065681
• Nikkaji Number: J195.793G
• Wikidata: Q72500109
• Mol file: 13936-21-5.mol

Synonyms:2-Amylanthraquinone;13936-21-5;2-pentylanthracene-9,10-dione;2-Pentylanthraquinone;9,10-Anthracenedione, 2-pentyl-;2-PENTYL-9,10-ANTHRACENEDIONE;2-pentyl-9,10-dihydroanthracene-9,10-dione;EINECS 237-711-2;2-amyl anthraquinone;SCHEMBL37031;DTXSID1065681;MFCD01940478;AS-14461;FT-0720655;EN300-142522;A807529;W-108219

Chemical Property of 2-Amylanthraquinone

Chemical Property:

• Appearance/Colour: light yellow crystal or powder
• Vapor Pressure: 1.07E-07mmHg at 25°C
• Melting Point: 85 °C
• Refractive Index: 1.589
• Boiling Point: 446.956 °C at 760 mmHg
• Flash Point: 166.614 °C
• PSA: 34.14000
• Density: 1.153 g/cm³
• LogP: 4.19470
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 278.130679813
• Heavy Atom Count: 21
• Complexity: 400

Purity/Quality:

99%, ^*data from raw suppliers

2-Pentylanthracene-9,10-dione ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Technology Process of 2-Amylanthraquinone

There total 5 articles about 2-Amylanthraquinone 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: 90.0%

2-(4-pentylbenzoyl)benzene carboxylic acid (13936-26-0) → 2-amyl-anthraquinone (13936-21-5)

Guidance literature:

2-(4-pentylbenzoyl)benzene carboxylic acid; With oxalyl bromide; at 90 ℃; for 0.5h;

With zinc(II) chloride; at 80 ℃; for 0.5h;

Reference yield: 72.0%

phthalic anhydride (85-44-9) + pentylbenzene (538-68-1) → 2-amyl-anthraquinone (13936-21-5)

Guidance literature:

With bifunctional sulfonic acid-based HZSM-5 molecular sieve solid acid catalyst; In tetrahydrofuran; at 30 ℃; for 8h;

Reference yield:

2-pentylanthracene → 2-amyl-anthraquinone (13936-21-5)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; In methanol; water; at 65 ℃; for 2h; Flow reactor;

upstream raw materials:

2-(4-pentylbenzoyl)benzene carboxylic acid

phthalic anhydride

pentylbenzene

Downstream raw materials:

C₃₃H₃₄O₂

2-pentyl-9,10-bis(4-methylphenyl)anthracene

Refernces

• 1、 -. "Preparation method of 2-alkyl anthraquinone". Paragraph 0099; 0104-0105; 0107-0109; 0110-0124; 0131-0146. . Retrieved 2020/11/05.
• 2、 -. "Synthetic method of 2-alkylanthraquinone". Paragraph 0033-0035. . Retrieved 2018/05/16.