7-Hydroxymethylbenz(a)anthracene

Base Information

• Chemical Name: 7-Hydroxymethylbenz(a)anthracene
• CAS No.: 16110-13-7
• Molecular Formula: C₁₉H₁₄O
• Molecular Weight: 258.32
• Hs Code.: 2905290000
• DSSTox Substance ID: DTXSID40167065
• Nikkaji Number: J35.554B
• Wikidata: Q83036380
• Mol file: 16110-13-7.mol

Synonyms:7-hydroxymethylbenz(a)anthracene;7-hydroxymethylbenz(a)anthracene, 3H-labeled;7-hydroxymethylbenzanthracene

Chemical Property of 7-Hydroxymethylbenz(a)anthracene

Chemical Property:

• Vapor Pressure: 2.15E-11mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 514.1°Cat760mmHg
• PKA: 14.36±0.10(Predicted)
• Flash Point: 227.5°C
• PSA: 20.23000
• Density: 1.256g/cm³
• LogP: 4.63850
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 258.104465066
• Heavy Atom Count: 20
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)CO
• Uses: Metabolite of formyl-substituted benzanthracenes.

Technology Process of 7-Hydroxymethylbenz(a)anthracene

There total 6 articles about 7-Hydroxymethylbenz(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:

benz[a]anthracene (56-55-3) → 7-hydroxy-methyl-12-benz[a]anthracene (16110-13-7)

Guidance literature:

Multi-step reaction with 3 steps

1: glacial acetic acid / 80 °C

2: glacial acetic acid

3: ethanolic NaOH

With sodium hydroxide; acetic acid;

DOI:10.1039/jr9390000802

Reference yield:

benz[a]anthracene-7,12-dione (2498-66-0) → 7-hydroxy-methyl-12-benz[a]anthracene (16110-13-7)

Guidance literature:

Multi-step reaction with 4 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

4: ethanolic NaOH

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

DOI:10.1039/jr9390000802

Reference yield:

→ 7-hydroxy-methyl-12-benz[a]anthracene (16110-13-7)

Guidance literature:

With fermenting yeast; Sucrose;

upstream raw materials:

acetic acid benz[a]anthracen-7-ylmethyl ester

7-methylbenzanthracene carboxaldehyde

benz[a]anthracene

7-chloromethylbenz[a]anthracene

Downstream raw materials:

7-Brommethyl-benz[a]anthracen