4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one

Product Name: 4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one
CAS No.: 301693-50-5
Chemical Name: 4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one
Synonyms: Polmacoxib Impurity;Polmacoxib Impurity 1;Calcium acetate Impurity 4;4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-on;4-(3-Fluorophenyl)-2,2-dimethyl-5-[4-(methylthio)phenyl]-3(2H)-furanone;4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one;2,2-dimethyl-4-(3-fluorophenyl)-5-[4-(methylthio)phenyl]-3(2H)-furanone;3(2H)-Furanone, 4-(3-fluorophenyl)-2,2-dimethyl-5-[4-(methylthio)phenyl]-;4-(3-fluorophenyl)-2,2-dimethyl-5- (4-(methylthio)phenyl)furan-3(2H)-one (FFM);4-(3-fluorophenyl)-2,2-diMethyl-5-[4-(Methylsulfanyl)phenyl]-2,3-dihydrofuran-3-one
CBNumber: CB02535892
Molecular Formula: C19H17FO2S
Formula Weight: 328.4
MOL File: 301693-50-5.mol

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4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one Property

Boiling point:: 448.2±45.0 °C(Predicted)
Density: 1.25±0.1 g/cm3(Predicted)
storage temp.: 2-8°C
InChI: InChI=1S/C19H17FO2S/c1-19(2)18(21)16(13-5-4-6-14(20)11-13)17(22-19)12-7-9-15(23-3)10-8-12/h4-11H,1-3H3
InChIKey: OTXGJFNQTZTDPD-UHFFFAOYSA-N
SMILES: O1C(C2=CC=C(SC)C=C2)=C(C2=CC=CC(F)=C2)C(=O)C1(C)C

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

AK Scientific

Product number: 9023CX
Product name: 4-(3-Fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one
Packaging: 250mg
Price: $92
Updated: 2021/12/16

Ambeed

Product number: A138958
Product name: 4-(3-Fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one
Purity: 98%
Packaging: 1g
Price: $61
Updated: 2021/12/16

Chemenu

Product number: CM252045
Product name: 4-(3-Fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one
Purity: 98%
Packaging: 1g
Price: $192
Updated: 2021/12/16

Alichem

Product number: 301693505
Product name: 4-(3-Fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2h)-one
Packaging: 1g
Price: $193.81
Updated: 2021/12/16

Ambeed

Product number: A138958
Product name: 4-(3-Fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one
Purity: 98%
Packaging: 5g
Price: $206
Updated: 2021/12/16

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4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one Chemical Properties,Usage,Production

Synthesis

20769-85-1

301699-27-4

301693-50-5

The general procedure for the synthesis of 4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one from 2-bromoisobutyryl bromide and 2-(3-fluorophenyl)-1-(4-(methylthio)phenyl)ethanone was as follows: 2.60 g (10 mmol) of 2-(3-fluorophenyl)-1-(4-(methylthio)phenyl)ethanone was mixed with a 20.8 mL of N,N-dimethylacetamide was stirred and cooled to 0 °C. 2.0 g (50 mmol) of 60% sodium hydride was slowly added at 0 to 5°C and kept at this temperature and stirred for 1.0 hour. 1.38 g (20 mmol) of 1,2,4-triazole was dissolved in 13.8 mL of N,N-dimethylacetamide, then 2.29 g (10 mmol) of 2-bromoisobutyryl bromide was added dropwise, and the mixture was stirred for 2 hr. at about 30 °C. After completion of the reaction, the insoluble material was removed by filtration. The filtrate was slowly dripped into the reaction flask, taking about 1.0 hour. The mixture was stirred overnight at room temperature. Subsequently, 60 mL of 2N hydrochloric acid was added and the mixture was concentrated to near dryness. To the residue, 60 mL of water was added, filtered, and the filter cake was washed twice with water and finally recrystallized from ethanol to give 2.85 g of the target product in 86.8% yield.

References

[1] Patent: CN106866558, 2017, A. Location in patent: Paragraph 0102; 0103; 0104
[2] Bioorganic and Medicinal Chemistry, 2002, vol. 10, # 4, p. 1137 - 1142

4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one Preparation Products And Raw materials

Raw materials

Preparation Products

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4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one Suppliers

China 46 India 3 United States 3 Global 52

Beijing Chempion Pharm-Tech Co. Ltd.

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Aikon International Limited

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View Lastest Price from 4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one manufacturers

Career Henan Chemical Co

Product: 4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one 301693-50-5
Price: US $2.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1kg, 5kg ,50kg
Release date: 2020-01-08

301693-50-5, 4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-oneRelated Search:

4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-one

4-(3-fluorophenyl)-2,2-diMethyl-5-[4-(Methylsulfanyl)phenyl]-2,3-dihydrofuran-3-one

4-(3-Fluorophenyl)-2,2-dimethyl-5-[4-(methylthio)phenyl]-3(2H)-furanone

4-(3-fluorophenyl)-2,2-dimethyl-5-(4-(methylthio)phenyl)furan-3(2H)-on

Polmacoxib Impurity

Polmacoxib Impurity 1

3(2H)-Furanone, 4-(3-fluorophenyl)-2,2-dimethyl-5-[4-(methylthio)phenyl]-

4-(3-fluorophenyl)-2,2-dimethyl-5- (4-(methylthio)phenyl)furan-3(2H)-one (FFM)

2,2-dimethyl-4-(3-fluorophenyl)-5-[4-(methylthio)phenyl]-3(2H)-furanone

Calcium acetate Impurity 4

301693-50-5

C19H17FO2S