4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione

Base Information

Chemical Name:4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione
CAS No.:53764-99-1
Molecular Formula:C11H9F3O2
Molecular Weight:230.186
Hs Code.:2914700090
UNII:7QCX472V3H
DSSTox Substance ID:DTXSID10595230
Wikidata:Q82490204
Mol file:53764-99-1.mol

Synonyms:53764-99-1;4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione;4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione;4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione;MFCD11849497;7QCX472V3H;SCHEMBL1924595;1,3-Butanedione, 4,4,4-trifluoro-1-(3-methylphenyl)-;DTXSID10595230;AKOS010562227;DS-5289;AM807578;DB-331810;CS-0153229;3-(3-Methylbenzoyl)-1,1,1-trifluoroacetone;EN300-76380;A914705;1,1,1-Trifluoro-4-(3'-methylphenyl)butane-2,4-dione;1-(3-methyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione;1-(3-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione, 1-(m-Tolyl)-4,4,4-trifluorobutane-1,3-dione

Suppliers and Price of 4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione
500mg
$ 350.00

TRC
4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione
250mg
$ 225.00

SynQuest Laboratories
3-(3-Methylbenzoyl)-1,1,1-trifluoroacetone 97%
250 mg
$ 162.00

Crysdot
4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione 97%
5g
$ 782.00

Crysdot
4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione 97%
1g
$ 267.00

Chemenu
4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione 95%
1g
$ 252.00

Chemenu
4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione 95%
5g
$ 739.00

American Custom Chemicals Corporation
4,4,4-TRIFLUORO-1-(M-TOLYL)BUTANE-1,3-DIONE 95.00%
5MG
$ 495.10

Ambeed
4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione 97%
1g
$ 51.00

Ambeed
4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione 97%
250mg
$ 18.00

Total 21 raw suppliers

Chemical Property of 4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione

Chemical Property:

Vapor Pressure:0.00695mmHg at 25°C
Boiling Point:270.2oC at 760 mmHg
PKA:5.73±0.23(Predicted)
Flash Point:94.2oC
PSA：34.14000
Density:1.252g/cm3
LogP:2.69920
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:230.05546401
Heavy Atom Count:16
Complexity:283

Purity/Quality:

97% ^*data from raw suppliers

4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC=C1)C(=O)CC(=O)C(F)(F)F
Uses 4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione is an intermediate in the synthesis of 4-Desmethyl-3-methyl Celecoxib (D293040). 4-Desmethyl-3-methyl Celecoxib is a meta positional isomer of Celecoxib (C251000) with selective inhibitory activity against human cyclooxygenase-2. USP Celecoxib Related Compound A.

Technology Process of 4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione

There total 3 articles about 4,4,4-Trifluoro-1-(m-tolyl)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: 87.0%