1-Methylanthraquinone

Base Information

• Chemical Name: 1-Methylanthraquinone
• CAS No.: 954-07-4
• Molecular Formula: C15H10O2
• Molecular Weight: 222.243
• European Community (EC) Number: 213-469-3
• NSC Number: 401161
• UNII: 0326WS59HU
• DSSTox Substance ID: DTXSID70915011
• Nikkaji Number: J102.801D
• Wikidata: Q27231571
• Mol file: 954-07-4.mol

Synonyms:1-Methylanthraquinone;954-07-4;1-Methyl-9,10-anthraquinone;1-methylanthracene-9,10-dione;Anthraquinone, 1-methyl-;.alpha.-Methylanthraquinone;METHYLANTHRAQUINONE;0326WS59HU;9,10-Anthracenedione, 1-methyl-;NSC-401161;NSC401161;1-methyl-anthraquinone;Anthraquinone, methyl-;9, 1-methyl-;SCHEMBL224650;UNII-0326WS59HU;DTXSID70915011;1-Methylanthra-9,10-quinone #;EINECS 213-469-3;NSC 401161;1-METHYL-9,10-ANTHRACENEDIONE;27936-34-1;Antracene-9,10(9H,10H)-dione, 1-methyl-;Q27231571

Chemical Property of 1-Methylanthraquinone

Chemical Property:

• Vapor Pressure: 7.36E-07mmHg at 25°C
• Boiling Point: 407.8°C at 760 mmHg
• Flash Point: 152.7°C
• Density: 1.267g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 222.068079557
• Heavy Atom Count: 17
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C(=O)C3=CC=CC=C3C2=O

Technology Process of 1-Methylanthraquinone

There total 36 articles about 1-Methylanthraquinone 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: 88.0%

1-methyl-1,4-dihydro-9,10-anthraquinone (32740-63-9) → 1-methylanthraquinone (954-07-4)

Guidance literature:

palladium on activated charcoal; In toluene; Heating;

DOI:10.1055/s-2004-831299

Reference yield: 85.0%

2-methyl-2-(4-methyl-9,10-dioxo-1,4,9,10-tetrahydro-anthracen-1-yl)-propionic acid methyl ester (690637-43-5) → 1-methylanthraquinone (954-07-4)

Guidance literature:

With air; triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1016/j.tetlet.2004.02.041

Reference yield: 76.0%

trans-2-pentenal (1576-87-0) + [1,4]naphthoquinone (130-15-4) → 1-methylanthraquinone (954-07-4)

Guidance literature:

With piperidine; In ethanol; at 80 ℃;

DOI:10.1039/d0gc01011a

upstream raw materials:

1-methylanthracene

methylbenzoyl-benzoic acid

1-chloro-4-methylanthraquinone

2-benzoyl-6-methyl-benzoic acid

Downstream raw materials:

1-methyl-9,10-diphenyl-9,10-dihydro-anthracene-9,10-diol

1-methylanthracene

anthraquinone-1-carboxylic acid

9,10-dioxo-9,10-dihydroanthracene-1-carbaldehyde