2-METHYLANTHRACENE

Base Information

• Chemical Name: 2-METHYLANTHRACENE
• CAS No.: 613-12-7
• Molecular Formula: C15H12
• Molecular Weight: 192.26
• European Community (EC) Number: 210-329-3
• NSC Number: 87376
• UNII: 6C868JOV4A
• DSSTox Substance ID: DTXSID8060616
• Nikkaji Number: J55.376J
• Wikidata: Q21198615
• ChEMBL ID: CHEMBL1797266
• Mol file: 613-12-7.mol

Synonyms:2-Methylanthracene;NSC 87376

Chemical Property of 2-METHYLANTHRACENE

Chemical Property:

• Vapor Pressure: 0.00011mmHg at 25°C
• Melting Point: 204-206 °C(lit.)
• Refractive Index: 1.6880 (estimate)
• Boiling Point: 347.2°C at 760 mmHg
• PKA: >14 (Schwarzenbach et al., 1993)
• Flash Point: 157.5°C
• PSA: 0.00000
• Density: 1.105g/cm³
• LogP: 4.30140
• Solubility.: Soluble in benzene and chloroform (Weast, 1986)
• Water Solubility.: 39ug/L(25 oC)
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 192.093900383
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

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

2-Methylanthracene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiXn
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: CC1=CC2=CC3=CC=CC=C3C=C2C=C1
• Uses: 2-Methylanthracene (cas# 613-12-7) is a compound useful in organic synthesis.

Technology Process of 2-METHYLANTHRACENE

There total 105 articles about 2-METHYLANTHRACENE 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: 98.0%

2-methyl-9,10-dihydro anthracene (948-67-4) → 2-methylanthracene (613-12-7)

Guidance literature:

With sulfuric acid; dinitrogen monoxide; Ru(5,10,15,20-tetramesitylporphyrin)(O)2; In benzene; at 120 ℃; under 7600 Torr;

DOI:10.1246/cl.2002.582

Reference yield: 94.0%

2-(4-methylbenzyl)benzaldehyde (1321539-21-2) → 2-methylanthracene (613-12-7)

Guidance literature:

With indium(III) triflate; In 1,2-dichloro-ethane; at 115 ℃; for 6h; Inert atmosphere;

DOI:10.1021/jo200861s

Reference yield: 91.0%

2-(3-methylbenzyl)benzaldehyde (1321539-24-5) → 1-methylanthracene (610-48-0) + 2-methylanthracene (613-12-7)

Guidance literature:

With trifluorormethanesulfonic acid; at 0 - 20 ℃; for 1h;

DOI:10.1002/ejoc.201601406

upstream raw materials:

styrene

tetrachloromethane

2-benzyl-1,4-dimethylbenzene

2,5-dimethylbenzophenone

Downstream raw materials:

trans-2-<4-Phenyl-styryl>-anthracen

C₃₁H₂₄O₂

anthraquinone-1-carboxylic acid

anthraquinone-2-carboxylic acid

Refernces

• 1、 Chen, Dabo,Gu, Jiale,Huang, Sheng,Li, Huan,Wu, Shiyong,Wu, Youqing. "Preliminary investigations on the catalytic hydrogenation of polycyclic aromatic hydrocarbons via WGSR". . . Retrieved 2021/10/04.
• 2、 Biswas, Rakesh,Naskar, Sumit,Ghosh, Surya,Das, Mousumi,Banerjee, Supratim. "A Remarkable Fluorescence Quenching Based Amplification in ATP Detection through Signal Transduction in Self-Assembled Multivalent Aggregates". supporting information. p. 13595 - 13600. Retrieved 2020/10/06.