Benz(a)anthracen-5(6H)-one, 7,12-dimethyl-

Base Information

• Chemical Name: Benz(a)anthracen-5(6H)-one, 7,12-dimethyl-
• CAS No.: 53306-07-3
• Molecular Formula: C₂₀H₁₆O
• Molecular Weight: 272.346
• DSSTox Substance ID: DTXSID20201456
• Wikidata: Q83074674
• Mol file: 53306-07-3.mol

Synonyms:7,12-Dimethylbenz(a)anthracen-5(6H)-one;Benz(a)anthracen-5(6H)-one, 7,12-dimethyl-;53306-07-3;DTXSID20201456

Chemical Property of Benz(a)anthracen-5(6H)-one, 7,12-dimethyl-

Chemical Property:

• Vapor Pressure: 1.6E-09mmHg at 25°C
• Boiling Point: 484°C at 760 mmHg
• Flash Point: 215.7°C
• Density: 1.188g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 272.120115130
• Heavy Atom Count: 21
• Complexity: 414

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2CC(=O)C3=CC=CC=C3C2=C(C4=CC=CC=C14)C

Technology Process of Benz(a)anthracen-5(6H)-one, 7,12-dimethyl-

There total 8 articles about Benz(a)anthracen-5(6H)-one, 7,12-dimethyl- 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:

1,4-dihydro-1,4-dimethyl-1,4-epoxynaphthalene (4705-93-5) → 7,12-Dimethylbenz-anthracen-5(6H)-on (53306-07-3)

Guidance literature:

Multi-step reaction with 7 steps

1: 73 percent / 3,6-di-(2-pyridyl)-1,2,4,5-tetrazine

2: 90 percent / p-toluenesulfonic acid / benzene

3: 95 percent / LAH

4: 100 percent / HCl

5: 90 percent / dimethylformamide

6: 65 percent / H₂SO₄

7: hydrogen fluoride

With hydrogenchloride; lithium aluminium tetrahydride; sulfuric acid; hydrogen fluoride; 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine; toluene-4-sulfonic acid; In N,N-dimethyl-formamide; benzene;

DOI:10.1016/S0040-4039(00)81619-6

Reference yield:

2-Chloromethyl-1,4-dimethyl-3-phenyl-naphthalene (86428-29-7) → 7,12-Dimethylbenz-anthracen-5(6H)-on (53306-07-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / dimethylformamide

2: 65 percent / H₂SO₄

3: hydrogen fluoride

With sulfuric acid; hydrogen fluoride; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)81619-6

Reference yield:

(1,4-Dimethyl-3-phenyl-naphthalen-2-yl)-methanol (86428-27-5) → 7,12-Dimethylbenz-anthracen-5(6H)-on (53306-07-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 100 percent / HCl

2: 90 percent / dimethylformamide

3: 65 percent / H₂SO₄

4: hydrogen fluoride

With hydrogenchloride; sulfuric acid; hydrogen fluoride; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)81619-6

upstream raw materials:

(1,4-Dimethyl-3-phenyl-naphthalen-2-yl)-acetic acid

1,4-dihydro-1,4-dimethyl-1,4-epoxynaphthalene

2-Chloromethyl-1,4-dimethyl-3-phenyl-naphthalene

(1,4-Dimethyl-3-phenyl-naphthalen-2-yl)-methanol

Refernces

• 1、 Levy, Louis A.,Sashi Kumar, V. P.. "SYNTHESIS OF METHYL SUBSTITUTED BENZANTHRACENES AND BENZANTHRACENE DERIVATIVES". . p. 1221 - 1224. Retrieved 2007/10/02.
• 2、 Newman,Olson. "A new hypothesis concerning the reactive species in carcinogenesis by 7,12-dimethylbenz(a)anthracene. The 5-hydroxy-7,12-dimethylbenz(a)anthracene-7,12-dimethylbenz(a)anthracen-5(6H)-one equilibrium.". . p. 6207 - 6208. Retrieved 2007/10/12.