11H-Benz(bc)aceanthrylene, 6-methyl-

Base Information

• Chemical Name: 11H-Benz(bc)aceanthrylene, 6-methyl-
• CAS No.: 63041-88-3
• Molecular Formula: C20H14
• Molecular Weight: 254.34
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID00212368
• Nikkaji Number: J57.910F
• Wikidata: Q83087478
• Mol file: 63041-88-3.mol

Synonyms:11H-Benz(bc)aceanthrylene, 6-methyl-;63041-88-3;BRN 3134754;10-Methyl-1',9-methylene-1,2-benzanthracene;DTXSID00212368

Chemical Property of 11H-Benz(bc)aceanthrylene, 6-methyl-

Chemical Property:

• Vapor Pressure: 5.9E-09mmHg at 25°C
• Refractive Index: 1.7040 (estimate)
• Boiling Point: 481.3°Cat760mmHg
• Flash Point: 237.1°C
• PSA: 0.00000
• Density: 1.261g/cm³
• LogP: 5.35880
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 254.109550447
• Heavy Atom Count: 20
• Complexity: 386

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=CC3=C4C2=C(CC4=CC=C3)C5=CC=CC=C15

Technology Process of 11H-Benz(bc)aceanthrylene, 6-methyl-

There total 3 articles about 11H-Benz(bc)aceanthrylene, 6-methyl- 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: 78.0%

6-formyl-11H-benzaceanthrylene (141046-09-5) → 6-methyl-11H-benzaceanthrylene (63041-88-3)

Guidance literature:

With sodium cyanoborohydride; zinc(II) iodide; In dichloromethane; for 12h; Ambient temperature;

DOI:10.1021/jo00038a016

Reference yield:

→ 6-methyl-11H-benzaceanthrylene (63041-88-3)

Guidance literature:

With hydrogen fluoride; Kochen des Reaktionsprodukts mit Methylmagnesiumchlorid in Aether und Erhitzen des neben 6-Hydroxy-11H-benz<bc>aceanthrylen erhaltenen Alkohols;

DOI:10.1080/713846821

Reference yield:

→ 6-methyl-11H-benzaceanthrylene (63041-88-3) + 6-hydroxy-11H-benz[bc]aceanthrylene (63041-87-2)

Guidance literature:

With hydrogen fluoride; Kochen des Reaktionsprodukts mit Methylmagnesiumchlorid in Aether;

DOI:10.1080/713846821

upstream raw materials:

6-formyl-11H-benzaceanthrylene

Refernces