1-(Anthracen-9-yl)butane-1,3-dione

Base Information

• Chemical Name: 1-(Anthracen-9-yl)butane-1,3-dione
• CAS No.: 101736-47-4
• Molecular Formula: C₁₈H₁₄O₂
• Molecular Weight: 262.308
• DSSTox Substance ID: DTXSID20354895
• Nikkaji Number: J1.806.388C
• Wikidata: Q82133376
• Mol file: 101736-47-4.mol

Synonyms:101736-47-4;1-Anthracen-9-yl-butane-1,3-dione;1-(anthracen-9-yl)butane-1,3-dione;1-anthracen-9-ylbutane-1,3-dione;1,3-Butanedione,1-(9-anthracenyl)-;CBDivE_001736;DTXSID20354895;STK536787;AKOS001012960;FT-0705732;Z56763032

Chemical Property of 1-(Anthracen-9-yl)butane-1,3-dione

Chemical Property:

• Vapor Pressure: 9.18E-09mmHg at 25°C
• Refractive Index: 1.663
• Boiling Point: 463.3 °C at 760 mmHg
• Flash Point: 172.3 °C
• Density: 1.195 g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 262.099379685
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

1-ANTHRACEN-9-YL-BUTANE-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31
• General Description: 1-ANTHRACEN-9-YL-BUTANE-1,3-DIONE (also known as 9-anthroylacetone) is a bright yellow compound that undergoes a reversible head-to-tail [4π+4π] photodimerization reaction upon irradiation (e.g., sunlight, tungsten lamp, xenon lamp, or UV laser), forming a colorless dimer. This reaction occurs in both solution and solid states, with quantum yields exceeding 0.023 mol/Einstein in the solid phase. The dimer can thermally (above 130°C) or photochemically dissociate back to the monomer. The structural details of both the monomer and dimer have been confirmed by single-crystal X-ray analysis.

Technology Process of 1-(Anthracen-9-yl)butane-1,3-dione

There total 5 articles about 1-(Anthracen-9-yl)butane-1,3-dione 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-2-morpholin-4-yl-pent-4-ynenitrile → 9-anthroylacetone (101736-47-4)

Guidance literature:

With copper(II) sulfate; In methanol; water; at 60 ℃; for 1.5h;

DOI:10.1021/jo051538w

Reference yield:

anthracene (120-12-7) → 9-anthroylacetone (101736-47-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminum (III) chloride / dichloromethane / 1 h / 0 - 10 °C

2: sodium / diethyl ether / 4 h / Reflux

With aluminum (III) chloride; sodium; In diethyl ether; dichloromethane; 2: |Claisen Condensation;

DOI:10.1021/ic4028173

Reference yield:

9-acetylanthracene (784-04-3) + ethyl acetate (141-78-6) → 9-anthroylacetone (101736-47-4)

Guidance literature:

With sodium; In diethyl ether; for 4h; Reflux;

DOI:10.1021/ic4028173

upstream raw materials:

anthracene

9-acetylanthracene

ethyl acetate

Downstream raw materials:

3-(2-hydroxyphenylimino)-9-anthrylbutan-1-one

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