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4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione

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Origin: China

Cas No: 720-94-5

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 100 mt/month

Lead time: 7 days for OEM, 3 days for ready goods

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Products Specification
Product Description

Property

CAS No.: 720-94-5 Formula: C11H9F3O2 Molecular Weight: 230.18300

Description

A Celecoxib (Celebrex) intermediate.

Basic Info

Chemical Name	4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione
Synonyms	4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione;
CAS No.	720-94-5
Molecular Formula	C11H9F3O2
Molecular Weight	230.18300
PSA	34.14000
LogP	2.69920

Properties

Appearance & Physical State	Pale yellow solid
Density	1.253 g/cm3
Boiling Point	269.893ºC at 760 mmHg
Melting Point	44-46ºC
Refractive Index	1.466
Storage Condition	-20ºC Freezer

Safety Info

Safety Statements	S26; S36/37/39
HS Code	2914700090
Risk Statements	R36/37/38

Synthesis Route

Ethyl trifluoroacetate+4'-Methylacetophenone→4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione
4'-Methylacetophenone+trifluoroacetic acid→4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione
quinoclamine+Water→4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione

Precursor

quinoclamine
Ethyl trifluoroacetate
Water
trifluoroacetic acid

Downstream Product

celecoxib
[2-(4-methylphenyl)-2-oxoethyl] acetate
N-De(4-sulfonamidophenyl)-N'-(4-sulfonamidophenyl) Celecoxib
Hydroxy Celecoxib

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