9-Anthryl acetate

Base Information

• Chemical Name: 9-Anthryl acetate
• CAS No.: 1499-12-3
• Molecular Formula: C16H12 O2
• Molecular Weight: 236.27
• Hs Code.: 2915390090
• NSC Number: 179366
• UNII: 5G46F5C1QI
• DSSTox Substance ID: DTXSID90164423
• Nikkaji Number: J80.135F
• Wikidata: Q27262073
• Mol file: 1499-12-3.mol

Synonyms:9-anthryl acetate;9-Acetoxyanthracene;9-Anthrol, acetate;1499-12-3;anthracen-9-yl acetate;9-Anthracenol, acetate;Anthranol acetate [MI];9-Anthracenol, 9-acetate;NSC-179366;UNII-5G46F5C1QI;5G46F5C1QI;Acetic acid 9-anthryl ester;Anthranol acetate;9-Acetohydroxyanthracene;SCHEMBL4752091;DTXSID90164423;NSC179366;Q27262073

Chemical Property of 9-Anthryl acetate

Chemical Property:

• Vapor Pressure: 5.68E-07mmHg at 25°C
• Boiling Point: 411.2°Cat760mmHg
• Flash Point: 134.2°C
• PSA: 26.30000
• Density: 1.209g/cm³
• LogP: 3.91830
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 236.083729621
• Heavy Atom Count: 18
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C2C=CC=CC2=CC3=CC=CC=C31

Technology Process of 9-Anthryl acetate

There total 11 articles about 9-Anthryl 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: 28.0%

malonic acid (141-82-2) + anthracene (120-12-7) → anthracen-9-carboxylic acid (723-62-6) + 9-acetoxyanthracene (1499-12-3) + α,α-diacetoxy-9-methylanthracene (111354-83-7) + 9-anthracene aldehyde (642-31-9)

Guidance literature:

With manganese triacetate; In acetic acid; for 0.0166667h; Heating;

DOI:10.1246/bcsj.62.545

Reference yield: 28.0%

malonic acid (141-82-2) + anthracene (120-12-7) + acetic acid (64-19-7,77671-22-8) → anthracen-9-carboxylic acid (723-62-6) + 9-acetoxyanthracene (1499-12-3) + α,α-diacetoxy-9-methylanthracene (111354-83-7) + 9-anthracene aldehyde (642-31-9)

Guidance literature:

With manganese triacetate; for 0.0166667h; Product distribution; Mechanism; Heating; Mn(III)-mediated formylation of various aromatic compounds;

DOI:10.1246/bcsj.62.545

Reference yield: 16.0%

malonic acid (141-82-2) + anthracene (120-12-7) → 9-acetoxyanthracene (1499-12-3) + α,α-diacetoxy-9-methylanthracene (111354-83-7) + 9-anthracene aldehyde (642-31-9)

Guidance literature:

With manganese triacetate; In acetic acid; for 0.0166667h; Heating;

DOI:10.1246/bcsj.62.545

upstream raw materials:

10,10'-dihydroxy-9,9',10,10'-tetrahydro-9,9'-bianthryl

acetic anhydride

anthracene

lead(IV) tetraacetate

Downstream raw materials:

9-acetoxy-11,12-dibenzoyl-9,10-dihydro-9,10-ethenoanthracene

9,10-phenanthrenequinone

9-phenylanthracene

anthracen-9(10H)-one

Refernces

• 1、 -. "Process for the preparation of anthraquinone". Page 3; 4. . Retrieved 2008/06/13.
• 2、 Nishino, Hiroshi,Tsunoda, Katsunori,Kurosawa, Kazu. "Manganese(III)-Mediated Formylation of Aromatic Compounds in the Presence of Malonic Acid". . p. 545 - 550. Retrieved 2007/10/02.