1-Acetoxy-3-methylcholanthrene

Base Information

• Chemical Name: 1-Acetoxy-3-methylcholanthrene
• CAS No.: 7319-59-7
• Molecular Formula: C23H18 O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID10993914
• Mol file: 7319-59-7.mol

Synonyms:1-Acetoxy-3-methylcholanthrene;7319-59-7;CCRIS 2805;Cholanthren-1-ol, 3-methyl-, acetate;BRN 2301092;1,2-Dihydro-3-methylbenz(j)aceanthrylen-1-ol acetate;Benz(j)aceanthrylen-1-ol, 1,2-dihydro-3-methyl-, acetate;DTXSID10993914;3-methyl-1,2-dihydrocyclopenta[ij]tetraphen-1-yl acetate

Chemical Property of 1-Acetoxy-3-methylcholanthrene

Chemical Property:

• Vapor Pressure: 5.8E-12mmHg at 25°C
• Boiling Point: 545.6°C at 760 mmHg
• Flash Point: 281.6°C
• PSA: 26.30000
• Density: 1.27g/cm³
• LogP: 5.61490
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 326.130679813
• Heavy Atom Count: 25
• Complexity: 528

Purity/Quality:

1-ACETOXY-3-METHYLCHOLANTHRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2CC(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)OC(=O)C

Technology Process of 1-Acetoxy-3-methylcholanthrene

There total 4 articles about 1-Acetoxy-3-methylcholanthrene 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:

methylcholanthrene (56-49-5) → 3-Methyl-cholanthren-1-on (3343-07-5) + acetic acid-(3-methyl-cholanthren-1-yl ester) (7319-59-7)

Guidance literature:

With lead(IV) acetate; acetic acid; benzene; anschliessendes Versetzen mit Wasser;

DOI:10.1021/ja01277a077

Reference yield:

methylcholanthrene (56-49-5) + lead(IV) tetraacetate (546-67-8) + acetic acid (64-19-7,77671-22-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-Methyl-cholanthren-1-on (3343-07-5) + acetic acid-(3-methyl-cholanthren-1-yl ester) (7319-59-7)

Guidance literature:

at 0 ℃;

DOI:10.1021/ja01277a077

Reference yield:

methylcholanthrene (56-49-5) → acetic acid-(3-methyl-cholanthren-1-yl ester) (7319-59-7)

Guidance literature:

With lead(IV) acetate; acetic acid; benzene; unter Kuehlung;

DOI:10.1021/ja01277a077

upstream raw materials:

methylcholanthrene

lead(IV) tetraacetate

acetic acid

benzene

Downstream raw materials:

(+/-)-1-Hydroxy-3-methyl-cholanthren

3-Methyl-cholanthren-1-on

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