2,3-Dimethylanthraquinone

Base Information

• Chemical Name: 2,3-Dimethylanthraquinone
• CAS No.: 6531-35-7
• Molecular Formula: C16H12O2
• Molecular Weight: 236.27
• Hs Code.: 2914690090
• European Community (EC) Number: 624-209-7
• NSC Number: 76612
• DSSTox Substance ID: DTXSID20215654
• Nikkaji Number: J133.061F
• Wikidata: Q72469329
• Mol file: 6531-35-7.mol

Synonyms:2,3-Dimethylanthraquinone;6531-35-7;2,3-dimethylanthracene-9,10-dione;9,10-Anthracenedione, 2,3-dimethyl-;2,3-Dimethylanthra-9,10-quinone;2,3-Dimethyl-9,10-anthracenedione;2,3-DIMETHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE;9, 2,3-dimethyl-;2,3-dimethyl-anthraquinone;SCHEMBL56435;Anthraquinone, 2,3-dimethyl-;DTXSID20215654;2,3-Dimethylanthraquinone, 98%;AMY25168;NSC76612;MFCD00045379;NSC 76612;NSC-76612;2,3-dimethyl-anthracene-9,10-dione;2,3-Dimethylanthra-9,10-quinone #;AKOS015842422;SB66642;AS-58492;D2980;FT-0636174;T71182;A835061;AE-641/00352056

Chemical Property of 2,3-Dimethylanthraquinone

Chemical Property:

• Vapor Pressure: 2.69E-07mmHg at 25°C
• Melting Point: 210-212 °C(lit.)
• Refractive Index: 1.631
• Boiling Point: 421 °C at 760 mmHg
• Flash Point: 157.4 °C
• PSA: 34.14000
• Density: 1.233 g/cm³
• LogP: 3.07880
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 236.083729621
• Heavy Atom Count: 18
• Complexity: 337

Purity/Quality:

99.0%Min ^*data from raw suppliers

2,3-Dimethylanthraquinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)C(=O)C3=CC=CC=C3C2=O
• Uses: 2,3-Dimethylanthraquinone may be used as starting reagent in the regioselective synthesis of 6-amino-2,3-anthracenedimethanol.

Technology Process of 2,3-Dimethylanthraquinone

There total 28 articles about 2,3-Dimethylanthraquinone 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%

methyl 2-benzoyl-4,5-dimethylbenzoate (412322-32-8) → 2,3-dimethylanthraquinone (6531-35-7)

Guidance literature:

With sulfuric acid; at 60 ℃; for 72h; Inert atmosphere;

DOI:10.1021/ol4023276

Reference yield: 88.0%

2,3-dimethyl-buta-1,3-diene (513-81-5) + [1,4]naphthoquinone (130-15-4) → 2,3-dimethylanthraquinone (6531-35-7)

Guidance literature:

2,3-dimethyl-buta-1,3-diene; [1,4]naphthoquinone; In ethanol; at 80 ℃; for 8h;

With potassium hydroxide; In ethanol; at 20 ℃; for 42h;

DOI:10.1021/jacs.8b03833

Reference yield: 86.0%

2,3-dimethyl-9,10-dihydroanthracene (471241-97-1) → 2,3-dimethylanthraquinone (6531-35-7)

Guidance literature:

With dinitrogen monoxide; Ru(5,10,15,20-tetramesitylporphyrin)(O)2; In benzene; at 200 ℃; under 7600 Torr;

DOI:10.1246/cl.2002.582

upstream raw materials:

2,3-dimethyl-9(10H)-anthracenone

2-benzoyl-4,5-dimethylbenzoic acid

2-(3,4-dimethylbenzoyl)benzoic acid

6,7-dimethyl-9,10-dioxo-9,10-dihydro-anthracene-1-carboxylic acid

Downstream raw materials:

2,3,9,10-Tetramethyl-anthracen

2,3-dimethyl-9,10-diphenyl-9,10-dihydro-anthracene-9,10-diol

2,3-dimethylanthracene

1-amino-2,3-dimethyl-9,10-anthraquinone

Refernces

• 1、 Yamakado, Takuya,Otsubo, Kazuya,Osuka, Atsuhiro,Saito, Shohei. "Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase". . p. 6245 - 6248. Retrieved 2018.
• 2、 Jin, Xiongjie,Taniguchi, Kento,Yamaguchi, Kazuya,Nozaki, Kyoko,Mizuno, Noritaka. "A Ni-Mg-Al layered triple hydroxide-supported Pd catalyst for heterogeneous acceptorless dehydrogenative aromatization". . p. 5267 - 5270. Retrieved 2017/07/10.