9-Anthracenemethanol, acetate

Base Information

• Chemical Name: 9-Anthracenemethanol, acetate
• CAS No.: 16430-32-3
• Molecular Formula: C17H14 O2
• Molecular Weight: 250.297
• UNII: SYQ9PQ3DUE
• DSSTox Substance ID: DTXSID00167743
• Nikkaji Number: J1.490.269D
• Wikidata: Q83037184
• Mol file: 16430-32-3.mol

Synonyms:9-Anthrylmethyl acetate;9-Acetoxymethylanthracene;9-(Acetoxymethyl)anthracene;9-ANTHRACENEMETHANOL, ACETATE;CCRIS 2797;SYQ9PQ3DUE;16430-32-3;BRN 2054309;anthracen-9-ylmethyl acetate;9-anthrylmethylacetate;UNII-SYQ9PQ3DUE;SCHEMBL2222008;DTXSID00167743;O-ACETYLANTHRACENE-9-METHANOL;9-ANTHRACENEMETHANOL, 9-ACETATE;LS-20356

Chemical Property of 9-Anthracenemethanol, acetate

Chemical Property:

• Vapor Pressure: 5.1E-07mmHg at 25°C
• Boiling Point: 412.6°Cat760mmHg
• Flash Point: 179.2°C
• Density: 1.189g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 250.099379685
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31

Technology Process of 9-Anthracenemethanol, acetate

There total 3 articles about 9-Anthracenemethanol, 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: 6.0%

(anthracen-9-yl)methyl methyl sulfide (61574-53-6) + dimethyl acetylenedicarboxylate (762-42-5) → (anthracen-9-yl)methyl acetate (16430-32-3) + C23H20O6 + C22H20O4S + 1,2-bis(methoxycarbonyl)-1-methylthioethylene (87281-45-6) + 9-anthracene aldehyde (642-31-9)

Guidance literature:

With acetic acid; for 3h; Reflux;

DOI:10.1002/poc.3438

Reference yield: 6.0%

(anthracen-9-yl)methyl methyl sulfide (61574-53-6) + 1,4-diphenyl-but-2-yne-1,4-dione (1087-09-8) → (anthracen-9-yl)methyl acetate (16430-32-3) + 1,2,4,5-tetrabenzoylbenzene (3867-56-9) + C32H24O2S + hexabenzoylbenzene + 5,6,-11,12-tetrahydro-4b,12[1',2']:6,10b[1'',2'']dibenzenochrysene (55614-27-2) + 2-(methylthio)-1,4-diphenylbut-2-ene-1,4-dione (63113-55-3,63113-56-4) + 9-anthracene aldehyde (642-31-9)

Guidance literature:

With acetic acid; for 13h; Reflux;

DOI:10.1002/poc.3438

Reference yield:

9-methylanthracene (779-02-2) + sodium acetate (127-09-3) → 9-hydroxymethylanthracene (1468-95-7) + 9-acetoxo-10-methyl-anthracene (31688-72-9) + 10-Methylene-10H-anthracen-9-one (4159-04-0) + 10-hydroxy-10-methylanthracen-9(10H)-one (17104-31-3) + (anthracen-9-yl)methyl acetate (16430-32-3) + 9-anthracene aldehyde (642-31-9)

Guidance literature:

With ammonium peroxydisulfate; copper diacetate; In water; acetonitrile; at 83 ℃; for 0.5h; Product distribution; Mechanism; var. oxidations agents, time and reagent conc.;

DOI:10.1021/jo00369a023

upstream raw materials:

9-methylanthracene

sodium acetate

(anthracen-9-yl)methyl methyl sulfide

dimethyl acetylenedicarboxylate

Downstream raw materials:

9-hydroxymethylanthracene

Refernces

• 1、 Deardurff, Larrie A.,Alnajjar, Mikhail S.,Camaioni, Donald M.. "Products and Mechanism of the Oxidation of 9-Methylanthracene by Peroxydisulfate. Proton Loss and Nucleophile Addition Reactions of the 9-Methylanthracene Radical Cation". . p. 3686 - 3693. Retrieved 2007/10/02.