6-Methylaceanthrylene

Base Information

• Chemical Name: 6-Methylaceanthrylene
• CAS No.: 170653-86-8
• Molecular Formula: C₁₇H₁₂
• Molecular Weight: 216.282
• DSSTox Substance ID: DTXSID80168915
• Nikkaji Number: J867.344F
• Mol file: 170653-86-8.mol

Synonyms:6-Methylaceanthrylene;170653-86-8;DTXSID80168915

Chemical Property of 6-Methylaceanthrylene

Chemical Property:

• Vapor Pressure: 8.03E-07mmHg at 25°C
• Boiling Point: 418.3°Cat760mmHg
• Flash Point: 197.3°C
• PSA: 0.00000
• Density: 1.211g/cm³
• LogP: 4.78520
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 216.093900383
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CC=C3C2=C(C=C3)C4=CC=CC=C14

Technology Process of 6-Methylaceanthrylene

There total 3 articles about 6-Methylaceanthrylene 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:

6-Methylaceanthrene (24344-05-6) → 6-Methylaceanthrylene (170653-86-8)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In toluene; at 0 ℃; for 0.333333h;

DOI:10.1016/S0165-1218(97)00028-1

Reference yield:

aceanthrene (641-48-5) → 6-Methylaceanthrylene (170653-86-8)

Guidance literature:

Multi-step reaction with 3 steps

1: NH₃; Na / 1 h / -60 °C

2: 64 percent / sulfur / 0.75 h / 160 °C

3: 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / toluene / 0.33 h / 0 °C

With ammonia; sodium; sulfur; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In toluene; 1: Reduction / 1: Substitution / 2: Dehydrogenation / 3: Dehydrogenation;

DOI:10.1016/S0165-1218(97)00028-1

Reference yield:

6-Methyl-1,2,6,10b-tetrahydroaceanthrylene → 6-Methylaceanthrylene (170653-86-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / sulfur / 0.75 h / 160 °C

2: 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / toluene / 0.33 h / 0 °C

With sulfur; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In toluene; 1: Dehydrogenation / 2: Dehydrogenation;

DOI:10.1016/S0165-1218(97)00028-1

upstream raw materials:

6-Methylaceanthrene

aceanthrene

Refernces