Benz(a)anthracene-7-methanol, acetate

Base Information

• Chemical Name: Benz(a)anthracene-7-methanol, acetate
• CAS No.: 17526-24-8
• Molecular Formula: C21H16O2
• Molecular Weight: 300.37
• DSSTox Substance ID: DTXSID50169959
• Nikkaji Number: J35.555K
• Wikidata: Q83039783
• Mol file: 17526-24-8.mol

Synonyms:17526-24-8;Benz(a)anthracene-7-methanol, acetate;7-Acetoxymethylbenz[a]anthracene;Benz[a]anthracene-7-methanol 7-Acetate;benzo[a]anthracen-7-ylmethyl acetate;7-Acetoxymethylbenz(a)anthracene;(TETRAPHEN-7-YL)METHYL ACETATE;Benz[a]anthracene-7-methanol-13C7-Acetate;1391053-07-8;CCRIS 2800;10-Acetoxymethyl-1,2-benzanthracene;BRN 2144721;Acetic acid, benz(a)anthracene-7-methanol ester;Benz[a]anthracene-7-methanol Acetate;DTXSID50169959;10-Acetoxymethyl-1,2-benzanthracen;FT-0662529

Chemical Property of Benz(a)anthracene-7-methanol, acetate

Chemical Property:

• Vapor Pressure: 3.9E-10mmHg at 25°C
• Refractive Index: 1.5680 (estimate)
• Boiling Point: 500.1°C at 760 mmHg
• Flash Point: 204.6°C
• PSA: 26.30000
• Density: 1.227g/cm³
• LogP: 5.20930
• Solubility.: Dichloromethane/Ethyl Acetate solution; Tetrahydrofuran
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 300.115029749
• Heavy Atom Count: 23
• Complexity: 432

Purity/Quality:

99% ^*data from raw suppliers

Benz[a]anthracene-7-methanol7-Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C41
• Uses: Benz[a]anthracene derivative. Mutagenic.

Technology Process of Benz(a)anthracene-7-methanol, acetate

There total 6 articles about Benz(a)anthracene-7-methanol, acetate 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:

7-methylbenz[a]anthracene (2541-69-7) → acetic acid benz[a]anthracen-7-ylmethyl ester (17526-24-8)

Guidance literature:

With lead(IV) acetate; acetic acid; Erwaermen auf dem Dampfbad;

DOI:10.1021/ja01275a047

Reference yield:

benz[a]anthracene (56-55-3) → acetic acid benz[a]anthracen-7-ylmethyl ester (17526-24-8)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid / 80 °C

2: glacial acetic acid

With acetic acid;

DOI:10.1039/jr9390000802

Reference yield:

benz[a]anthracene-7,12-dione (2498-66-0) → acetic acid benz[a]anthracen-7-ylmethyl ester (17526-24-8)

Guidance literature:

Multi-step reaction with 3 steps

1: SnCl₂; concentrated aqueous HCl; glacial acetic acid / Erhitzen des Reaktionsprodukts mit Zink-Pulver und 7 prozentig. wss. HCl

2: glacial acetic acid / 80 °C

3: glacial acetic acid

With hydrogenchloride; acetic acid; tin(ll) chloride;

DOI:10.1039/jr9390000802

upstream raw materials:

7-methylbenz[a]anthracene

7-chloromethylbenz[a]anthracene

potassium acetate

lead(IV) tetraacetate

Downstream raw materials:

7-hydroxy-methyl-12-benz[a]anthracene