2-(Trifluoromethyl)xanthone

Base Information

• Chemical Name: 2-(Trifluoromethyl)xanthone
• CAS No.: 1496-15-7
• Molecular Formula: C14H7 F3 O2
• Molecular Weight: 264.2
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID90375350
• Nikkaji Number: J2.459.812H
• Wikidata: Q82163877
• Mol file: 1496-15-7.mol

Synonyms:2-(Trifluoromethyl)xanthone;1496-15-7;2-(trifluoromethyl)xanthen-9-one;2-Trifluoromethyl-xanthen-9-one;2-(Trifluoromethyl)-9H-xanthen-9-one;9H-Xanthen-9-one, 2-(trifluoromethyl)-;2-trifluoromethylxanthone;SCHEMBL2515353;DTXSID90375350;MFCD03701090;AKOS015852797;AB15721;2-(Trifluoromethyl)-9H-xanthene-9-one;AC-14990;CS-0337137;J-008602

Chemical Property of 2-(Trifluoromethyl)xanthone

Chemical Property:

• Vapor Pressure: 2.45E-05mmHg at 25°C
• Melting Point: 121-122°C
• Refractive Index: 1.56
• Boiling Point: 359°C at 760 mmHg
• Flash Point: 165.2°C
• PSA: 30.21000
• Density: 1.411g/cm³
• LogP: 3.96500
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 264.03981395
• Heavy Atom Count: 19
• Complexity: 366

Purity/Quality:

98%min ^*data from raw suppliers

2-Trifluoromethyl-xanthen-9-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(F)(F)F

Technology Process of 2-(Trifluoromethyl)xanthone

There total 15 articles about 2-(Trifluoromethyl)xanthone 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%

5-trifluoromethyl-2-(phenoxy)benzaldehyde (188725-94-2) → 2-(trifluoromethyl)-9H-xanthen-9-one (1496-15-7)

Guidance literature:

With tert.-butylhydroperoxide; rhodium(III) chloride; triphenylphosphine; In chlorobenzene; at 160 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol203381q

Reference yield: 77.0%

C21H15F3O3 → 2-(trifluoromethyl)-9H-xanthen-9-one (1496-15-7)

Guidance literature:

With iron(III) chloride; Dichloromethyl methyl ether; In dichloromethane; at 0 - 20 ℃;

DOI:10.1039/c4ra10174j

Reference yield: 73.0%

C25H11F4O2S2(1+)*BF4(1-) + trifluoromethylcopper(I) (77152-08-0) → 2-(trifluoromethyl)-9H-xanthen-9-one (1496-15-7)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 30 ℃; for 3h; Sealed tube; Irradiation;

DOI:10.1002/anie.201906672

upstream raw materials:

5-trifluoromethyl-2-(phenoxy)benzaldehyde

2-fluoro-5-trifluoromethylbenzaldehyde

phenol

4-hydroxybenzotrifluoride