7-chloromethyl-12-methylbenz(a)anthracene

Base Information

• Chemical Name: 7-chloromethyl-12-methylbenz(a)anthracene
• CAS No.: 13345-62-5
• Molecular Formula: C20H15Cl
• Molecular Weight: 290.80
• Hs Code.: 2903999090
• Mol file: 13345-62-5.mol

Synonyms:7-(chloromethyl)-12-methyltetraphene;7-Chlormethyl-12-methylbenzanthracene;Benz(a)anthracene,7-(chloromethyl)-12-methyl;7-chloromethyl-12-methyl-benzo[a]anthracene;7-(Chloromethyl)-12-methylbenzanthracene;IRC 453;

Chemical Property of 7-chloromethyl-12-methylbenz(a)anthracene

Chemical Property:

• Vapor Pressure: 8.21E-10mmHg at 25°C
• Refractive Index: 1.6281 (estimate)
• Boiling Point: 504.6°C at 760 mmHg
• Flash Point: 235.4°C
• PSA: 0.00000
• Density: 1.233g/cm³
• LogP: 6.19340

Purity/Quality:

99% ^*data from raw suppliers

AR-E57 7-CHLOROMETHYL-12-METHYLBENZ(A)ANTHRACENE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 7-chloromethyl-12-methylbenz(a)anthracene

There total 5 articles about 7-chloromethyl-12-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:

[3H]-7-Hydroxymethyl-12-methylbenz[a]anthracene (568-75-2) → 7-(Chloromethyl)-12-methylbenzanthracene (13345-62-5)

Guidance literature:

With thionyl chloride; In benzene;

DOI:10.1021/jm00311a047

Reference yield:

(+/-)-7.12c-dihydroxy-7r.12t-dimethyl-7.12-dihydro-benz[a]anthracene (2518-00-5,55125-18-3,55125-19-4) → 7-(Chloromethyl)-12-methylbenzanthracene (13345-62-5)

Guidance literature:

With hydrogenchloride; In ethyl acetate;

DOI:10.1021/jm00208a013

Reference yield:

benz[a]anthracene-7,12-dione (2498-66-0) → 7-(Chloromethyl)-12-methylbenzanthracene (13345-62-5)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene; diethyl ether / Heating

2: HCl / ethyl acetate

With hydrogenchloride; In diethyl ether; ethyl acetate; benzene;

DOI:10.1021/jm00208a013

upstream raw materials:

[3H]-7-Hydroxymethyl-12-methylbenz[a]anthracene

(+/-)-7.12c-dihydroxy-7r.12t-dimethyl-7.12-dihydro-benz[a]anthracene

7,12-dihydro-7,12-dimethylbenzanthracene-7,12-diol

benz[a]anthracene-7,12-dione

Downstream raw materials:

(12-Methyl-8,9,10,11-tetrahydro-benzo[a]anthracen-7-yl)-acetic acid methyl ester

(12-Methyl-5,6-dihydro-benzo[a]anthracen-7-yl)-acetic acid methyl ester

Methyl 7-(12-methylbenzanthryl)acetate

6-methylcholanthrene

Refernces

• 1、 Lee, Hongmee,Harvey, Ronald G.. "Synthesis of Cyclopentanobenzanthracene Compounds Related to Carcinogenic Benzanthracene and Cholanthrene Hydrocarbons". . p. 3787 - 3791. Retrieved 2007/10/02.
• 2、 Peck,O'Connell. "Mixed bifunctionality. 4. Antitumor activity of alkylating derivatives of polycyclic aromatic hydrocarbons as a function of structure and of vehicle.". . p. 68 - 70. Retrieved 2007/10/13.