Anthraquinone-d8

Base Information

• Chemical Name: Anthraquinone-d8
• CAS No.: 10439-39-1
• Molecular Formula: C₁₄H₈O₂
• Molecular Weight: 216.153
• European Community (EC) Number: 694-609-4
• DSSTox Substance ID: DTXSID40574038
• Wikidata: Q82462921
• Mol file: 10439-39-1.mol

Synonyms:Anthraquinone-d8;10439-39-1;Anthraquinone D8;1,2,3,4,5,6,7,8-octadeuterioanthracene-9,10-dione;9,10-dihydro(?H?)anthracene-9,10-dione;(~2~H_8_)Anthracene-9,10-dione;9,10-anthraquinone-d8;SCHEMBL1332299;HY-N0354S;DTXSID40574038;Anthraquinone-d8, 98 atom % D;CS-0566991;D98821;9,10-Anthracenedione-1,2,3,4,5,6,7,8-d8;A936129

Chemical Property of Anthraquinone-d8

Chemical Property:

• Melting Point: 284-286 °C(lit.)
• Boiling Point: 379-381 °C(lit.)
• PSA: 34.14000
• LogP: 2.46200
• Storage Temp.: Room Temperature
• Solubility.: Chloroform (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 216.102643461
• Heavy Atom Count: 16
• Complexity: 261

Purity/Quality:

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

Anthraquinone-D8 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O
• Isomeric SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=O)C3=C(C(=C(C(=C3C2=O)[2H])[2H])[2H])[2H])[2H])[2H]
• Uses: Anthraquinone-D8 is a labelled analogue of Anthraquinone (A679245). Anthraquinone is commonly used as a precursor to synthesize antiviral compounds such as Hypericin (H998190). Anthraquinone and its derivatives are also used in textile dyes.

Technology Process of Anthraquinone-d8

There total 3 articles about Anthraquinone-d8 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%

9,10-phenanthrenequinone (84-65-1) → 9,10-Anthrachinon-d(8) (10439-39-1)

Guidance literature:

With platinum on carbon; In water-d2; isopropyl alcohol; decalin; at 80 ℃; for 24h;

Reference yield: 85.0%

anthracene-d10 (1719-06-8) → 9,10-Anthrachinon-d(8) (10439-39-1)

Guidance literature:

With sodium chlorate; vanadia; In acetic acid;

Reference yield:

→ 9,10-Anthrachinon-d(8) (10439-39-1)

Guidance literature:

Anthrachinon, Deuteriumoxid, Deuteriumsulfat; Erhitzen;

DOI:10.1139/v66-247

upstream raw materials:

anthracene-d10

9,10-phenanthrenequinone