7-Methylbenz[a]anthracene

Base Information

• Chemical Name: 7-Methylbenz[a]anthracene
• CAS No.: 2541-69-7
• Molecular Formula: C19H14
• Molecular Weight: 242.32
• Hs Code.: 2902909090
• European Community (EC) Number: 219-819-1
• NSC Number: 30974
• UNII: F0662CQU1Q
• DSSTox Substance ID: DTXSID40180072
• Nikkaji Number: J2.161J
• Wikidata: Q27277461
• ChEMBL ID: CHEMBL4296688
• Mol file: 2541-69-7.mol

Synonyms:7-methylbenz(a)anthracene;7-methylbenzanthracene

Chemical Property of 7-Methylbenz[a]anthracene

Chemical Property:

• Melting Point: 140 °C
• Refractive Index: 1.7480 (estimate)
• Boiling Point: 452.14°C (rough estimate)
• Flash Point: 217.8oC
• PSA: 0.00000
• Density: 1.1011 (estimate)
• LogP: 5.45460
• Water Solubility.: 11ug/L(24 oC)
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 242.109550447
• Heavy Atom Count: 19
• Complexity: 320

Purity/Quality:

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

7-Methylbenz[a]anthracene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: CC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C14
• Uses: 7-Methylbenz[a]anthracene is a monomethylated polycyclic aromatic hydrocarbon with carcinogenic activity.

Technology Process of 7-Methylbenz[a]anthracene

There total 26 articles about 7-Methylbenz[a]anthracene 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: 99.0%

2-(1-phenylethyl)-1-naphthaldehyde (1450728-40-1) → 7-methylbenz[a]anthracene (2541-69-7)

Guidance literature:

With indium(III) triflate; In 1,2-dichloro-ethane; at 115 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201207958

Reference yield: 85.0%

acetic acid-(7-methyl-benz[a]anthracen-12-yl ester) (17526-28-2) → 7-methylbenz[a]anthracene (2541-69-7)

Guidance literature:

With sodium hydroxide; zinc; In 1,4-dioxane; water; Heating;

DOI:10.1021/jo00132a026

Reference yield:

→ 7-methylbenz[a]anthracene (2541-69-7)

Guidance literature:

With sulfuric acid; at 20 ℃; Kochen des Reaktionsprodukts mit Zink-Pulver und wss. NaOH;

DOI:10.1021/ja01303a006

upstream raw materials:

7-chloromethylbenz[a]anthracene

7(12H)-benzanthracenone

methylmagnesium chloride

1-(2-[1]naphthylmethyl-phenyl)-ethanone

Downstream raw materials:

acetic acid benz[a]anthracen-7-ylmethyl ester

7-Brommethyl-benz[a]anthracen

benz[a]anthracen-7-yl-methanethiol

benz[a]anthracene-7,12-dione