Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI)

Product Name: Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI)
CAS No.: 496863-48-0
Chemical Name: Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI)
Synonyms: 4-Acetyl-2-methylthiopyrimidine;4-Acetyl-2-(methylsulphanyl)pyrimidine;1-(2-(Methylthio)pyrimidin-4-yl)ethanone;1-[2-(Methylthio)-4-pyrimidinyl]ethanone;Ethanone, 1-[2-(Methylthio)-4-pyriMidinyl]-;1-(2-(Methylthio)pyrimidin-4-yl)ethan-1-one;1-(2-Methylsulfanyl-pyriMidin-4-yl)-ethanone;1-[2-(Methylsulfanyl)pyriMidin-4-yl]-1-ethanone;1-[2-(Methylsulfanyl)pyriMidin-4-yl]ethan-1-one;1-[2-(Methylsulfanyl)-4-pyrimidinyl]-1-ethanone
CBNumber: CB21059759
Molecular Formula: C7H8N2OS
Formula Weight: 168.22
MOL File: 496863-48-0.mol

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Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI) Property

Boiling point:: 301℃
Density: 1.23
Flash point:: 136℃
storage temp.: Inert atmosphere,Room Temperature
pka: -1.05±0.20(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C7H8N2OS/c1-5(10)6-3-4-8-7(9-6)11-2/h3-4H,1-2H3
InChIKey: WXQMROLQWGTVBM-UHFFFAOYSA-N
SMILES: C(=O)(C1C=CN=C(SC)N=1)C

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Safety

HazardClass: IRRITANT
HS Code: 2933599590

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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: M726033
Product name: 1-(2-(Methylthio)pyrimidin-4-yl)ethanone
Packaging: 500mg
Price: $310
Updated: 2021/12/16

Apolloscientific

Product number: OR16882
Product name: 4-Acetyl-2-(methylsulphanyl)pyrimidine
Packaging: 500mg
Price: $319
Updated: 2021/12/16

SynQuest Laboratories

Product number: 8H66-1-62
Product name: 4-Acetyl-2-(methylthio)pyrimidine
Packaging: 500mg
Price: $352
Updated: 2021/12/16

AK Scientific

Product number: W6524
Product name: 1-(2-(Methylthio)pyrimidin-4-yl)ethanone
Packaging: 5g
Price: $394
Updated: 2021/12/16

Apolloscientific

Product number: OR16882
Product name: 4-Acetyl-2-(methylsulphanyl)pyrimidine
Packaging: 1g
Price: $433
Updated: 2021/12/16

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Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI) Chemical Properties,Usage,Production

Synthesis

75-97-8

4637-24-5

17356-08-0

74-88-4

496863-48-0

1) Synthesis of 4-acetyl-2-methylthiopyrimidine: 3,3-dimethylbutan-2-one (25.15 g) was mixed with N,N-dimethylformamide dimethyl acetal (126 mL) and stirred in an oil bath at 100 °C for 48 hours. Upon completion of the reaction, the reaction was air cooled and the low-boiling component was removed by distillation under reduced pressure. Methanol (400 mL), thiourea (28.92 g) and sodium methanol (15.39 g) were added to the residue and heated to reflux for 118 hours. After air cooling again, sodium methanol (10.26 g) was added and under ice bath cooling, iodomethane (17.8 mL) was added dropwise over 5 minutes and stirring was continued for 5 hours. After completion of the reaction, the solvent was removed by concentration under reduced pressure and the residue was partitioned with water and ethyl acetate. The organic layer was washed sequentially with water and saturated saline and dried over anhydrous sodium sulfate. After filtration, it was concentrated under reduced pressure and the residue was dissolved in 3N aqueous hydrochloric acid (400 mL) and stirred at room temperature for 15 hours. The reaction solution was extracted with ethyl acetate, the organic layer was dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: ethyl acetate-hexane) to afford 4-acetyl-2-methylthiopyrimidine (26.34 g, 82% yield) as a solid.1H-NMR (400 MHz, CDCl3) δ: 2.63 (3H, s), 2.70 (3H, s), 7.51 (1H, d, J = 4.9 Hz), 8.74 (1H , d, J = 4.9 Hz).ESI-MS m/z: 169 ([M + H]+).

References

[1] Patent: EP1785418, 2007, A1. Location in patent: Page/Page column 39

Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI) Preparation Products And Raw materials

Raw materials

Preparation Products

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Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI) Suppliers

China 55 Europe 1 India 1 Ukraine 1 United Kingdom 1 United States 10 Global 69

Jinan Xinzheng Pharmaceutical Technology Co., Ltd.

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View Lastest Price from Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI) manufacturers

Dideu Industries Group Limited

Product: Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI) 496863-48-0
Price: US $1.10/g
Min. Order: 1g
Purity: 99.00%
Supply Ability: 100 Tons Min
Release date: 2021-12-15

Career Henan Chemical Co

Product: Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI) 496863-48-0
Price: US $3.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 200KG
Release date: 2020-01-08

Career Henan Chemical Co

Product: Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI) 496863-48-0
Price: US $1.00/KG
Min. Order: 1KG
Purity: 95-99%
Supply Ability: 1ton
Release date: 2020-01-08

496863-48-0, Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI)Related Search:

Ethanone,1-(4-pyrimidinyl)- BIS-(2-METHYLSULFANYL-PYRIMIDIN-4-YL)-METHANONE Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI)

Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI)

1-[2-(Methylthio)-4-pyrimidinyl]ethanone

1-(2-(Methylthio)pyrimidin-4-yl)ethanone

1-[2-(Methylsulfanyl)-4-pyrimidinyl]-1-ethanone

4-Acetyl-2-methylthiopyrimidine

1-(2-Methylsulfanyl-pyriMidin-4-yl)-ethanone

1-[2-(Methylsulfanyl)pyriMidin-4-yl]ethan-1-one

1-[2-(Methylsulfanyl)pyriMidin-4-yl]-1-ethanone

4-Acetyl-2-(methylsulphanyl)pyrimidine

4-Acetyl-2-(methylthio)pyrimidine, 1-[2-(Methylsulphanyl)pyrimidin-4-yl]ethan-1-one

Ethanone, 1-[2-(Methylthio)-4-pyriMidinyl]-

1-(2-(Methylthio)pyrimidin-4-yl)ethan-1-one

Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI) ISO 9001：2015 REACH

496863-48-0

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