1,3-Butanedione, 4,4,4-trifluoro-1-(2-naphthalenyl)-

Base Information

• Chemical Name: 1,3-Butanedione, 4,4,4-trifluoro-1-(2-naphthalenyl)-
• CAS No.: 893-33-4
• Molecular Formula: C14H9F3O2
• Molecular Weight: 266.219
• Hs Code.: 29143990
• European Community (EC) Number: 639-290-4
• NSC Number: 42790
• UNII: 9LP5JE9L2H
• DSSTox Substance ID: DTXSID8061268
• Nikkaji Number: J421.542G
• Wikidata: Q81989394
• Mol file: 893-33-4.mol

Synonyms:4,4,4-trifluoro-1-(2-naphthalenyl)-1,3-butanedione;trifluoro-NBD

Chemical Property of 1,3-Butanedione, 4,4,4-trifluoro-1-(2-naphthalenyl)-

Chemical Property:

• Appearance/Colour: beige crystals or crystalline powder
• Vapor Pressure: 1.99E-05mmHg at 25°C
• Melting Point: 70-72 °C(lit.)
• Refractive Index: 1.582
• Boiling Point: 350.7 °C at 760 mmHg
• PKA: 7.70±0.50(Predicted)
• Flash Point: 125.9 °C
• PSA: 34.14000
• Density: 1.32g/cm³
• LogP: 3.54400
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMF: soluble
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 266.05546401
• Heavy Atom Count: 19
• Complexity: 362

Purity/Quality:

98%, ^*data from raw suppliers

4,4,4-Trifluoro-3-oxo-2''-butyronaphthone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F
• Uses: 4,4,4-Trifluoro-3-oxo-2''-butyronaphthone is a useful fluorescent compound.

Technology Process of 1,3-Butanedione, 4,4,4-trifluoro-1-(2-naphthalenyl)-

There total 4 articles about 1,3-Butanedione, 4,4,4-trifluoro-1-(2-naphthalenyl)- 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: 78.0%

ethyl trifluoroacetate, (383-63-1) + methyl 2-naphthyl ketone (93-08-3) → 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione (893-33-4)

Guidance literature:

With sodium ethanolate;

Reference yield: 74.0%

C15H11F3O2 (1262322-08-6) → 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione (893-33-4)

Guidance literature:

With sulfuric acid; In water; at 50 ℃; for 16h;

DOI:10.1002/ejoc.201201111

Reference yield:

trifluoroacetic acid-methyl ester (431-47-0) + methyl 2-naphthyl ketone (93-08-3) → 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione (893-33-4)

Guidance literature:

trifluoroacetic acid-methyl ester; methyl 2-naphthyl ketone; With sodium ethanolate; In toluene; for 12h;

With hydrogenchloride;

DOI:10.1002/jhet.5570400416

upstream raw materials:

ethyl trifluoroacetate,

methyl 2-naphthyl ketone

trifluoroacetic acid-methyl ester

C₁₅H₁₁F₃O₂

Downstream raw materials:

2,2,2-trifluoro-1-[7a-phenyl-2-(2-naphthyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-yl]ethanone

2-(trifluoromethyl)-3-(2-naphthoyl)-7a-phenyl-octahydro-1-benzofuran-2-yl acetate

4-Trifluormethyl-6-(2-naphtyl)-2-(4-toluidino)pyrimidin

Refernces

• 1、 Sun, Na-Na,Yan, Bing. "Lanthanide complex inside-outside double functionalized zeolite A hybrid materials for luminescence sensing". supporting information. p. 6924 - 6930. Retrieved 2016/08/09.
• 2、 Chiu, Hao-Chieh,Lee, Su-Lin,Kapuriya, Naval,Wang, Dasheng,Chen, Yi-Ru,Yu, Sung-Liang,Kulp, Samuel K.,Teng, Lee-Jene,Chen, Ching-Shih. "Development of novel antibacterial agents against methicillin-resistant Staphylococcus aureus". experimental part. p. 4653 - 4660. Retrieved 2012/08/29.