2-Methyl-1-nitroanthraquinone

Base Information

• Chemical Name: 2-Methyl-1-nitroanthraquinone
• CAS No.: 129-15-7
• Molecular Formula: C15H9 N O4
• Molecular Weight: 267.241
• Hs Code.: 2914700090
• European Community (EC) Number: 204-932-0
• NSC Number: 8
• UNII: XU83BY176P
• DSSTox Substance ID: DTXSID7020847
• Nikkaji Number: J2.521F
• Wikidata: Q27155888
• ChEMBL ID: CHEMBL1331312
• Mol file: 129-15-7.mol

Synonyms:2-methyl-1-nitroanthraquinone

Chemical Property of 2-Methyl-1-nitroanthraquinone

Chemical Property:

• Appearance/Colour: Pale yellow needles or light yellow solid
• Vapor Pressure: 9.98E-10mmHg at 25°C
• Melting Point: 270~271℃
• Refractive Index: 1.6231 (estimate)
• Boiling Point: 489.4 °C at 760 mmHg
• Flash Point: 248.7 °C
• PSA: 79.96000
• Density: 1.427 g/cm³
• LogP: 3.20180
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 267.05315777
• Heavy Atom Count: 20
• Complexity: 455

Purity/Quality:

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

2-Methyl-1-Nitroanthraquinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Anthraquinone Dyes
• Canonical SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Technology Process of 2-Methyl-1-nitroanthraquinone

There total 8 articles about 2-Methyl-1-nitroanthraquinone 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: 90.5%

2-methylanthracene-9,10-dione (84-54-8) → 1-nitro-2-methylanthraquinone (129-15-7)

Guidance literature:

With sulfuric acid; potassium nitrate; at 5 - 20 ℃;

DOI:10.3390/molecules25071672

Reference yield: 72.0%

9,10-phenanthrenequinone (84-65-1) → 1-nitro-2-methylanthraquinone (129-15-7)

Guidance literature:

With ozonized air; sulfuric acid; Nitrogen dioxide;

Reference yield:

phthalic anhydride (85-44-9) → 1-nitro-2-methylanthraquinone (129-15-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / Microwave irradiation

2: sulfuric acid; potassium nitrate

With aluminum (III) chloride; sulfuric acid; potassium nitrate;

DOI:10.1002/cbdv.202000328

upstream raw materials:

2-methylanthracene-9,10-dione

9,10-phenanthrenequinone

disperse orange 11

sulfuric acid

Downstream raw materials:

1-hydroxy-9,10-dioxoanthracene-2-carboxylic acid

disperse orange 11

1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl chloride

1-amino-9,10-anthracenedione

Refernces

• 1、 Li, Yuying,Guo, Fang,Chen, Tinggui,Zhang, Liwei,Wang, Zhuanhua,Su, Qiang,Feng, Liheng. "Design, Synthesis, Molecular Docking, and Biological Evaluation of New Emodin Anthraquinone Derivatives as Potential Antitumor Substances". . . Retrieved 2020/09/04.
• 2、 -. "Efficiency of ultrafiltration purification of solutions of polymeric colorants by inorganic base addition". . . Retrieved 2008/06/13.