ChemicalBook > CAS DataBase List >  1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone

1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone

Product Name
1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
CAS No.
221615-75-4
Chemical Name
1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
Synonyms
Ketosulfone;1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone;Etoxibu Impurity D;Etocoxi Impurity D;Ketosulfone Powder;Etocoxib impurity 5;Etoricoxib Impurity D;Etoricoxib impurity F;1-(6-methylpyridin-3-yl);Etoricoxib Intermediate 2
CBNumber
CB91479710
Molecular Formula
C15H15NO3S
Formula Weight
289.35
MOL File
221615-75-4.mol
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1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone Property

Melting point:
>169oC (dec.)
Boiling point:
509.7±50.0 °C(Predicted)
Density 
1.242±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
solubility 
DMSO (Slightly), Methanol (Slightly, Heated)
pka
3.75±0.10(Predicted)
form 
Solid
color 
Pale Beige
InChI
InChI=1S/C15H15NO3S/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(8-5-12)20(2,18)19/h3-8,10H,9H2,1-2H3
InChIKey
YBFHILNBYXCJKD-UHFFFAOYSA-N
SMILES
C(=O)(C1=CC=C(C)N=C1)CC1=CC=C(S(C)(=O)=O)C=C1
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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

H335May cause respiratory irritation

Precautionary statements

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

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

TRC
Product number
M225915
Product name
2-(4-Methanesulfonyl-phenyl)-1-(6-methyl-pyridin-3-yl)-ethanone
Packaging
2.5g
Price
$425
Updated
2021/12/16
TRC
Product number
M225915
Product name
2-(4-Methanesulfonyl-phenyl)-1-(6-methyl-pyridin-3-yl)-ethanone
Packaging
5g
Price
$765
Updated
2021/12/16
AK Scientific
Product number
1234AB
Product name
1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
Packaging
10g
Price
$121
Updated
2021/12/16
AK Scientific
Product number
J97988
Product name
1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
Packaging
25g
Price
$180
Updated
2021/12/16
AK Scientific
Product number
1234AB
Product name
1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone
Packaging
25g
Price
$241
Updated
2021/12/16
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1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone Chemical Properties,Usage,Production

Uses

This compound is an impurity in the synthesis of Etoricoxib (E934100), a specific inhibitor of COX-2 .

Synthesis

221615-72-1

221615-75-4

General procedure for the synthesis of 2-(4-methylsulfonylphenyl)-1-(6-methylpyridin-3-yl)-ethanone from 1-(6-methylpyridin-3-yl)-2-(4-(methylsulfanyl)phenyl)ethanone: 100 g of 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfanyl)phenyl]ethanone (1.0 equiv.), 150 mL of ice-cold acetic acid (1.5 volume) and 30 mL of methanesulfonic acid (1.2 eq., 0.3 v/v; molecular weight 96.11 g/mol, density 1.481 g/mL) were added to a 3,000 mL three-necked flask fitted with a pyrometer, condenser, and dropping funnel. The reaction mixture was cooled to 5-10 °C. Under stirring, 120 mL of 30% w/w hydrogen peroxide solution (3 equiv, 1.20 v/v; molecular weight 34.02 g/mol, density 1.13 g/mL) was added slowly and dropwise at 5-10°C. The reaction mixture was warmed to 50 °C with stirring at 20-25 °C and kept reacting for at least 6 hours. Upon completion of the reaction, the mixture was cooled to 0-5 °C and a solution comprising 300 g of sodium thiosulfate (3 wt.) and water (10 v/v) was added in batches to a total volume of about 180-260 mL. The pH of the reaction mixture was adjusted with a 30% sodium hydroxide solution to 5.5-6.5. The mixture was continued to be stirred at 20-25 °C for 2 h. The suspension was then filtered. The solid product was washed with 2 x 400 mL of water and subsequently dried under vacuum at 40 °C for at least 12 hours. A final product of 105.7 g of the target product was obtained, which was analyzed by HPLC with a purity of 94% and a molar yield of 97.5% (area percentage).

References

[1] Patent: US2012/232281, 2012, A1. Location in patent: Page/Page column 7
[2] Journal of Organic Chemistry, 2000, vol. 65, # 25, p. 8415 - 8420
[3] Patent: US6369275, 2002, B1. Location in patent: Page column 17
[4] Patent: CN104045596, 2017, B. Location in patent: Paragraph 0056-0057
[5] Patent: CN108689917, 2018, A. Location in patent: Paragraph 0036; 0044; 0051-0054; 0062-0065

1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone Preparation Products And Raw materials

Raw materials

Preparation Products

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1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone Suppliers

Canada 1 China 233 India 43 United States 10 Global 287
Xishi Chemical (Shanghai) Co., Ltd.
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J & K SCIENTIFIC LTD.
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View Lastest Price from 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone manufacturers

Henan Aochuang Chemical Co.,Ltd.
Product
1-(6-methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone 221615-75-4
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-09-30
Shanghai Joiny Pharmaceutical Co.,LTD
Product
1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone 221615-75-4
Price
US $0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
500kg
Release date
2022-12-13
Shaanxi Dideu Medichem Co. Ltd
Product
2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)- ETHAN-1-ONE 221615-75-4
Price
US $0.10/KG
Min. Order
1KG
Purity
99.0%
Supply Ability
1000 tons
Release date
2020-04-27

221615-75-4, 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanoneRelated Search:

Etoricoxib Impurity 11 Etoricoxib Impurity 12 lithiuM 2-(4-(Methylsulfonyl)phenyl)acetate 3 aMino-2-chloroacrolein (E)-2-chloro-3-iMino-N,N-diMethylprop-1-en-1-aMine hydrochloride (Z)-1-(6-methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone oxime Etoricoxib 2-Methylindole Etoricoxib Impurity 7 6'-DesMethyl-6'-carboxy Etoricoxib 2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE Etoricoxib Impurity 18 5-Chloro-6'-Methyl-3-[4-(Methylsulfonyl)phenyl]-2,3'-bipyridine 1'-Oxide Etoricoxib impurity 22 Etoricoxib IMpurity Etoricoxib Impurity 15 Etoricoxib Impurity 19 Deschloro Etoricoxib

  • 2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)- ETHAN-1-ONE
  • 1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone
  • 1-(6-Methyl-3-pyridinyl)-2-[4-(Methylsulfonyl)phenyl]-ethanone
  • 2-(4-Mesylphenyl)-1-(6-methylpyridin-3-yl)- ethan-1-one(KETO)
  • 1-(6-methylpyridine-3-yl)-2-(4-(methylsulfonyl)phenyl}ethanol
  • 1-(6-methylpyridin-3-yl)-2-
  • 1-(6 –Methyl- pyridine-3-yl)-2-[(4-Methylsulphonyl) ethanone]
  • 1-(6-Methyl-3-pyridyl)-2-(4-(Methylsulfonyl)-phenyl)ethanone
  • 2-(4-Methanesulfonyl-phenyl)-1-(6-methyl-pyridin-3-yl)-ethanone
  • (Ethanone,1-(6-Methyl-3-pyridinyl)-2-[4-(Methylsulfonyl)phenyl]- )
  • Etoricoxib Impurity D
  • 2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN- 2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)- ETHAN-1-ONE3-YL)- ETHAN-1-ONE
  • 1-(6-methylpyridin-3-yl)
  • 2-(4-Mesylphenyl)-l-(6-methylpyridin-3-yl)-ethan-l-one
  • Etoricoxib impurity F
  • Etoricoxib Intermediate 2
  • Etoxibu Impurity D
  • Etocoxi Impurity D
  • Etoricoxib Related Compound D
  • 1-(6-methyl-3-pyridinyl-2-[4-(methylsulfonyl) phenyl ethenone (Ketosulfone)
  • ETORICOXIB CAS 202409-33-4 INTERMEDIATES
  • l-(6-Methyl pyridin-3-yl)-2-[4-(methyl Sulfonyl) phenyl] Ethanone
  • Ketosulfone
  • 2-(4-MESYLPHENYL)-1-(6-METHYLPYRIDIN-3-YL)- ETHAN-1-ONE/1-(6-Methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone
  • Ketosulfone Powder
  • 1-(6-methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethan-1-one
  • Ketosulfone] 1-(6-methylpyridin-3-yl)-2-[4- (methylsulfonyl) phenyl]ethanone
  • 1-(6-Methylpyridin-3-Yl)-2-[4- (Methylsulfonyl)Phenyl] Ethanone [Ketosulfone
  • 1-(6-methylpyridin-3-yl)-2-(4- (methylsulfonyl)phenyl)ethan-1-one [Ketosulfone
  • 1-(6-Methyl-3-pyridinyl)-2-(4(Methyl sulphonyl)Phenyl)Ethanone
  • Etocoxib impurity 5
  • 2- (4-methylsulfonylphenyl) -1- (6-methylpyridin-3-yl) - ethanone
  • 1-6-Methyl pyridine-3 yl-2 4- Methyl sulfonyl phenyl Etanone (Ketosulphone)
  • 1-(6-methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethan-1-one [Ketosulfone] (Intermediate of Etoricoxib )
  • 221615-75-4
  • API intermediates
  • RB3
  • intermediates
  • 1