Benz(a)anthracene, 7-(chloromethyl)-3-methoxy-12-methyl-

Base Information

• Chemical Name: Benz(a)anthracene, 7-(chloromethyl)-3-methoxy-12-methyl-
• CAS No.: 66240-01-5
• Molecular Formula: C21H17ClO
• Molecular Weight: 320.8121
• DSSTox Substance ID: DTXSID60216448
• Wikidata: Q83092679
• Mol file: 66240-01-5.mol

Synonyms:66240-01-5;Benz(a)anthracene, 7-(chloromethyl)-3-methoxy-12-methyl-;7-(Chloromethyl)-3-methoxy-12-methylbenz(a)anthracene;DTXSID60216448

Chemical Property of Benz(a)anthracene, 7-(chloromethyl)-3-methoxy-12-methyl-

Chemical Property:

• Vapor Pressure: 5.94E-11mmHg at 25°C
• Boiling Point: 534.2°Cat760mmHg
• Flash Point: 268.7°C
• Density: 1.235g/cm³
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 320.0967929
• Heavy Atom Count: 23
• Complexity: 411

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C3=C(C=CC2=C(C4=CC=CC=C14)CCl)C=C(C=C3)OC

Technology Process of Benz(a)anthracene, 7-(chloromethyl)-3-methoxy-12-methyl-

There total 2 articles about Benz(a)anthracene, 7-(chloromethyl)-3-methoxy-12-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:

3-methoxy-7,12-dihydro-7,12-dihydroxy-7,12-dimethylbenzanthracene (103500-28-3) → 3-methoxy-7-(chloromethyl)-12-methylbenzanthracene (66240-01-5)

Guidance literature:

With hydrogenchloride; In ethyl acetate;

DOI:10.1021/jo01304a040

Reference yield:

→ 3-methoxy-7-(chloromethyl)-12-methylbenzanthracene (66240-01-5)

Guidance literature:

Dihydroxy-Verb. 25, HCl, EtOAc;

DOI:10.1021/jo00407a001

Reference yield: 95.0%

3-methoxy-7-(chloromethyl)-12-methylbenzanthracene (66240-01-5) → 3-methoxy-7,12-dimethylbenzanthracene (66240-02-6)

Guidance literature:

With sodium tetrahydroborate; In dimethyl sulfoxide; for 5h; Ambient temperature;

DOI:10.1021/jo01310a029

upstream raw materials:

3-methoxy-7,12-dihydro-7,12-dihydroxy-7,12-dimethylbenzanthracene

Downstream raw materials:

3-methoxy-7,12-dimethylbenzanthracene

7,12-dimethylbenzanthracene-3,4-dione

3-hydroxy-7,12-dimethylbenzanthracene

3,4-dihydroxy-7,12-dimethylbenzanthracene