3-(Anthracen-9-yl)phenyl methyl ether

Base Information

• Chemical Name: 3-(Anthracen-9-yl)phenyl methyl ether
• CAS No.: 1038-72-8
• Molecular Formula: C21H16 O
• Molecular Weight: 284.357
• NSC Number: 99569
• DSSTox Substance ID: DTXSID70295087
• Wikidata: Q82034786
• Mol file: 1038-72-8.mol

Synonyms:1038-72-8;3-(anthracen-9-yl)phenyl methyl ether;NSC99569;DTXSID70295087;NSC-99569

Chemical Property of 3-(Anthracen-9-yl)phenyl methyl ether

Chemical Property:

• Vapor Pressure: 2.92E-07mmHg at 25°C
• Boiling Point: 431.9°Cat760mmHg
• Flash Point: 176.2°C
• Density: 1.151g/cm³
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 284.120115130
• Heavy Atom Count: 22
• Complexity: 343

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2=C3C=CC=CC3=CC4=CC=CC=C42

Technology Process of 3-(Anthracen-9-yl)phenyl methyl ether

There total 5 articles about 3-(Anthracen-9-yl)phenyl methyl ether 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: 87.0%

9-Bromoanthracene (1564-64-3) + 3-methoxyphenylboronic acid (10365-98-7,1107579-37-2) → 9-(3-methoxyphenyl)anthracene (1038-72-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; toluene; for 24h; Inert atmosphere; Reflux; Sealed tube;

DOI:10.1021/jacs.9b03328

Reference yield: 69.0%

9-Bromoanthracene (1564-64-3) + 2-(3-methoxyphenyl)-1,3-dihydro-1H-benzo[d]1,3,2-diazaborole (1427288-36-5) → 9-(3-methoxyphenyl)anthracene (1038-72-8)

Guidance literature:

With potassium phosphate monohydrate; palladium diacetate; tricyclohexylphosphine; In water; toluene; at 100 ℃; for 0.166667h; Microwave irradiation; Inert atmosphere;

DOI:10.3762/bjoc.10.109

Reference yield: 52.0%

9-iodoanthracene (22362-86-3) + (3-methoxyphenyl)magnesium bromide (36282-40-3) → 9-(3-methoxyphenyl)anthracene (1038-72-8)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; palladium dichloride; In tetrahydrofuran; for 8h; Inert atmosphere; Reflux;

DOI:10.1002/chem.201300552

upstream raw materials:

anthracen-9(10H)-one

(3-methoxyphenyl)magnesium bromide

9-iodoanthracene

9-Bromoanthracene

Downstream raw materials:

9-m-Methoxyphenyl-10-p-nitrophenylanthracen

9-m-Methoxyphenyl-10-o-nitrophenylanthracen

9-m-Methoxyphenyl-10-m-nitrophenylanthracen

Refernces

• 1、 -. "An electron transport material and an organic electroluminescence element using the same". Paragraph 0094. . Retrieved 2019/10/04.
• 2、 Kadiyala, Raghu Ram,Tilly, David,Nagaradja, Elisabeth,Roisnel, Thierry,Matulis, Vadim E.,Ivashkevich, Oleg A.,Halauko, Yury S.,Chevallier, Floris,Gros, Philippe C.,Mongin, Florence. "Computed CH acidity of biaryl compounds and their deprotonative metalation by using a mixed lithium/Zinc-TMP base". . p. 7944 - 7960. Retrieved 2013/07/05.