9-Anthraceneethanol

Base Information

• Chemical Name: 9-Anthraceneethanol
• CAS No.: 54060-73-0
• Molecular Formula: C16H14O
• Molecular Weight: 222.287
• NSC Number: 133908
• DSSTox Substance ID: DTXSID70299969
• Nikkaji Number: J2.157.520H
• Wikidata: Q82042700
• Mol file: 54060-73-0.mol

Synonyms:54060-73-0;9-(2-Hydroxyethyl)anthracene;9-Anthraceneethanol;2-(Anthracen-9-yl)ethanol;2-anthracen-9-ylethanol;2-(9-Anthryl)ethanol;2-(anthracen-9-yl)ethan-1-ol;NSC133908;2-(9--anthryl)ethanol;2-(9-anthracenyl)ethanol;SCHEMBL240651;DTXSID70299969;KLNMQYHQWUWCPG-UHFFFAOYSA-N;Phenol,5-chloro-2-fluoro-(9CI);2-(9-Anthryl)ethanol, AldrichCPR;MFCD01318099;AKOS015856533;NSC-133908;AS-58511;CS-0453405;FT-0738134;H0970;T72595;A870552

Chemical Property of 9-Anthraceneethanol

Chemical Property:

• Vapor Pressure: 5.28E-08mmHg at 25°C
• Melting Point: 125 °C
• Refractive Index: 1.704
• Boiling Point: 425.6 °C at 760 mmHg
• PKA: 14.87±0.10(Predicted)
• Flash Point: 190.9 °C
• PSA: 20.23000
• Density: 1.182 g/cm³
• LogP: 3.52780
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 222.104465066
• Heavy Atom Count: 17
• Complexity: 228

Purity/Quality:

98%,99%, ^*data from raw suppliers

9-(2-Hydroxyethyl)anthracene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCO

Technology Process of 9-Anthraceneethanol

There total 3 articles about 9-Anthraceneethanol 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:

2-(anthracen-9-yl)ethyl 4-(allylamino)butanoate (1606141-53-0) → 1-allyl-2-pyrrolidinone (2687-97-0) + 2-(9-anthryl)ethanol (54060-73-0)

Guidance literature:

In methanol; at 55 ℃; for 24h; Time; Temperature;

DOI:10.1016/j.tet.2014.03.092

Reference yield:

2-(anthracen-9-yl)ethyl 6-(allylamino)hexanoate (1606141-55-2) → N-allyl-ε-caprolactam (17356-28-4) + 2-(9-anthryl)ethanol (54060-73-0)

Guidance literature:

In methanol; at 55 ℃; for 24h; Time; Temperature;

DOI:10.1016/j.tet.2014.03.092

Reference yield:

9-vinylanthracene (2444-68-0) → 2-(9-anthryl)ethanol (54060-73-0) + (-)-(S)-1-Anthracen-9-ylethanol (7512-20-1,74928-67-9,94942-50-4,114128-93-7) + (R)-1-(9-Anthryl)ethanol (7512-20-1,74928-67-9,114128-93-7,94942-50-4)

Guidance literature:

9-vinylanthracene; With benzo[1,3,2]dioxaborole; rhodium complex 2; In toluene; at 20 ℃; for 2h;

With sodium hydroxide; water; dihydrogen peroxide; In toluene; at 20 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1002/(SICI)1521-3765(19990401)5:4<1320::AID-CHEM1320>3.0.CO;2-#

upstream raw materials:

9-vinylanthracene

2-(anthracen-9-yl)ethyl 4-(allylamino)butanoate

2-(anthracen-9-yl)ethyl 6-(allylamino)hexanoate

Downstream raw materials:

α-(9-anthracenyl)acetophenone

2-(9-anthryl)-1-phenylethanol

<2-(9-Anthracenyl)ethyl>-4-toluolsulfonat

Refernces

• 1、 Doucet, Henri,Fernandez, Elena,Layzell, Timothy P.,Brown, John M.. "The scope of catalytic asymmetric hydroboration/oxidation with rhodium complexes of 1,1'-(2-diarylphosphino-1-naphthyl)isoquinolines". . p. 1320 - 1330. Retrieved 2007/10/03.