2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-(trifluoromethyl)-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-(trifluoromethyl)-
• CAS No.: 53518-14-2
• Deprecated CAS: 65722-16-9,73299-61-3,73299-61-3
• Molecular Formula: C12H10F3NO2
• Molecular Weight: 243.185
• Hs Code.: 2932209090
• European Community (EC) Number: 258-598-6
• UNII: JN9N8T2TMK
• DSSTox Substance ID: DTXSID5068861
• Nikkaji Number: J295.978J
• Wikidata: Q27122742
• ChEMBL ID: CHEMBL1765800
• Mol file: 53518-14-2.mol

Synonyms:Coumarin 152;53518-14-2;2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-(trifluoromethyl)-;7-(Dimethylamino)-4-(trifluoromethyl)coumarin;7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one;7-(dimethylamino)-4-(trifluoromethyl)chromen-2-one;7-dimethylamino-4-trifluoromethylcoumarin;JN9N8T2TMK;CHEBI:51775;EINECS 258-598-6;7-(Dimethylamino)-4-(trifluoromethyl)-2-benzopyrone;coumarin-152;UNII-JN9N8T2TMK;COUMARIN 485;SCHEMBL194433;CHEMBL1765800;DTXSID5068861;MFCD00041867;AKOS015850800;AS-35051;1,1,1-TRIMETHYLOLETHANETRIACRYLATE;C-152;C-485;D3356;FT-0735081;4-(TRIFLUOROMETHYL)-7-(DIMETHYLAMINO)COUMARIN;Q27122742;7-(Dimethylamino)-4-(trifluoromethyl)coumarin, >/=97%;7-(DIMETHYLAMINO)-4-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-2-ONE

Chemical Property of 2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-(trifluoromethyl)-

Chemical Property:

• Vapor Pressure: 0.000258mmHg at 25°C
• Melting Point: 147-149 °C(lit.)
• Refractive Index: 1.545
• Boiling Point: 323.7 °C at 760 mmHg
• Flash Point: 149.6 °C
• PSA: 33.45000
• Density: 1.381g/cm³
• LogP: 2.87780
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 257.06636305
• Heavy Atom Count: 18
• Complexity: 376

Purity/Quality:

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

Coumarin152 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Coumarin Dyes
• Canonical SMILES: CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
• Uses: Coumarin 152 is a useful laser dye for biological research purposes.

Technology Process of 2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-(trifluoromethyl)-

There total 1 articles about 2H-1-Benzopyran-2-one, 7-(dimethylamino)-4-(trifluoromethyl)- 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: 47.0%

3-(N-methylamino)phenol (14703-69-6) + ethyl 4,4,4-trifluoroacetoacetate (372-31-6) → 7-Methylamino-4-trifluoromethyl-chromen-2-one (53518-14-2)

Guidance literature:

With zinc(II) chloride; In ethanol; for 12h; Reflux;

DOI:10.1021/acs.jpcb.9b07077

Reference yield:

7-Methylamino-4-trifluoromethyl-chromen-2-one (53518-14-2) + 4-dimethylaminobenzyl bromide hydrobromide → 7-((4-(dimethylamino)benzyl)(methyl)amino)-4-(trifluoromethyl)-2H-chromen-2-one

Guidance literature:

4-dimethylaminobenzyl bromide hydrobromide; With potassium carbonate; In acetone; for 0.0833333h;

7-Methylamino-4-trifluoromethyl-chromen-2-one; In N,N-dimethyl-formamide; acetone; at 20 ℃; for 48h;

DOI:10.1021/acs.jpcb.9b07077

upstream raw materials:

3-(N-methylamino)phenol

ethyl 4,4,4-trifluoroacetoacetate

Refernces