ChemicalBook >> CAS DataBase List >>4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE

4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE

CAS No.
53764-99-1
Chemical Name:
4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE
Synonyms
4,4,4-trifluoro-1-(M-tolyl)butane-1,3-dione;Celecoxib Impurity 30(Moxifloxacin Impurity 55);4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione;4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione;1,3-Butanedione, 4,4,4-trifluoro-1-(3-methylphenyl)-;4,4,4-trifluoro-1 - (m-methylphenyl) butane-1,3-dione
CBNumber:
CB22465821
Molecular Formula:
C11H9F3O2
Molecular Weight:
230.18
MDL Number:
MFCD11849497
MOL File:
53764-99-1.mol
Last updated:2023-07-21 08:27:57

4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE Properties

Boiling point 270.2±35.0 °C(Predicted)
Density 1.252±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka 5.73±0.23(Predicted)
form Oil
color Pale Brown
FDA UNII 7QCX472V3H

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319-H335
Precautionary statements  P260-P280-P312
HS Code  2914290090

4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE price More Price(15)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TRC T791618 4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione 53764-99-1 250mg $225 2021-12-16 Buy
TRC T791618 4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione 53764-99-1 500mg $350 2021-12-16 Buy
American Custom Chemicals Corporation HCH0365189 4,4,4-TRIFLUORO-1-(M-TOLYL)BUTANE-1,3-DIONE 95.00% 53764-99-1 5MG $495.1 2021-12-16 Buy
SynQuest Laboratories 2718-3-00 3-(3-Methylbenzoyl)-1,1,1-trifluoroacetone 97% 53764-99-1 250mg $162 2021-12-16 Buy
Chemenu CM253500 4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione 95% 53764-99-1 5g $739 2021-12-16 Buy
Product number Packaging Price Buy
T791618 250mg $225 Buy
T791618 500mg $350 Buy
HCH0365189 5MG $495.1 Buy
2718-3-00 250mg $162 Buy
CM253500 5g $739 Buy

4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE Chemical Properties,Uses,Production

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.

400-38-4
585-74-0
53764-99-1
Synthesis of 4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE from ISOPROPYL TRIFLUOROACETATE and 3'-Methylacetophenone

4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE Preparation Products And Raw materials

Raw materials

Preparation Products

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4,4,4-trifluoro-1-(M-tolyl)butane-1,3-dione 4,4,4-trifluoro-1 - (m-methylphenyl) butane-1,3-dione 1,3-Butanedione, 4,4,4-trifluoro-1-(3-methylphenyl)- 4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione Celecoxib Impurity 30(Moxifloxacin Impurity 55) 4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione 53764-99-1