5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER

Product Name: 5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER
CAS No.: 61727-34-2
Chemical Name: 5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER
Synonyms: ethyl 2-(4-chloro-2-(Methylthio)pyriMidin-5-yl)acetate;NSC 165400;Ethyl 4-chloro-2-(methylthio)pyrimidine-5-acetate;Ethyl 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)acetate;Ethyl [4-chloro-2-(methylsulfanyl)pyrimidin-5-yl]acetate;4-Chloro-2-(methylthio)-5-pyrimidineacetic acid ethyl ester;5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER;(4-chloro-2-methylsulfanyl-pyrimidin-5-yl)-acetic acid ethyl ester
CBNumber: CB12468577
Molecular Formula: C9H11ClN2O2S
Formula Weight: 246.71
MOL File: 61727-34-2.mol

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5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER Property

Melting point:: 38-39 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling point:: 345.8±27.0 °C(Predicted)
Density: 1.32±0.1 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.82±0.29(Predicted)
Appearance: White to yellow <38°C Solid,>39°C Liquid

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Safety

RIDADR: UN2811
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

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

Apolloscientific

Product number: OR350175
Product name: Ethyl2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
Purity: 97%
Packaging: 250mg
Price: $363
Updated: 2021/12/16

SynQuest Laboratories

Product number: 8H66-5-1E
Product name: Ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
Purity: 97%
Packaging: 250mg
Price: $400
Updated: 2021/12/16

AK Scientific

Product number: 9260AB
Product name: Ethyl2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
Packaging: 5g
Price: $460
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0368716
Product name: ETHYL-2-(4-CHLORO-2-(METHYLTHIO)PYRIMIDIN-5-YL)ACETATE
Purity: 95.00%
Packaging: 5MG
Price: $501.38
Updated: 2021/12/16

Apolloscientific

Product number: OR350175
Product name: Ethyl2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
Purity: 97%
Packaging: 1g
Price: $776
Updated: 2021/12/16

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5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER Chemical Properties,Usage,Production

Uses

Ethyl [4-Chloro-2-(methylsulfanyl)pyrimidin-5-yl]acetate is used in preparation of the dihydropyrrolopyrimidine-selective JAK2 inhibitors.

Synthesis

29571-44-6

61727-34-2

Step 3: General procedure for the synthesis of ethyl 4-chloro-2-methylthio-5-pyrimidineacetate from ethyl 2-(2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)acetate: ethyl 2-(2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)acetate (28.8 g, 0.128 mol) was dissolved in phosphorous triclosan (240 mL ) in the reaction and refluxed for 4 hours. After completion of the reaction, the reaction mixture was concentrated under reduced pressure. The concentrated residue was co-evaporated twice with benzene to completely remove the residual phosphorous trichloride. Finally, it was purified by silica gel column chromatography (eluent: ethyl acetate-hexane, 1:3) to afford ethyl 4-chloro-2-(methylthio)pyrimidin-5-yl acetate (29.72 g, 95.5% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 8.32 (s, 1H), 4.13 (q, J=5.7 Hz, 2H), 3.62 (s, 2H), 2.52 (s, 3H), 1.21 (t, J=5.7 Hz, 3H).

References

[1] Patent: WO2009/152027, 2009, A1. Location in patent: Page/Page column 22; 25
[2] Patent: WO2017/176812, 2017, A1. Location in patent: Paragraph 0374
[3] Monatshefte fur Chemie, 2016, vol. 147, # 4, p. 767 - 773
[4] Patent: WO2016/22644, 2016, A1. Location in patent: Page/Page column 73

5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER manufacturers

Career Henan Chemical Co

Product: 5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER 61727-34-2
Price: US $0.01/KG
Min. Order: 1KG
Purity: 98%; 99%
Supply Ability: 1kg；10kg; 25kg
Release date: 2020-01-07

61727-34-2, 5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTERRelated Search:

5-Pyrimidineacetic acid

5-PYRIMIDINEACETIC ACID, 4-CHLORO-2-(METHYLTHIO)-, ETHYL ESTER

ethyl 2-(4-chloro-2-(Methylthio)pyriMidin-5-yl)acetate

(4-chloro-2-methylsulfanyl-pyrimidin-5-yl)-acetic acid ethyl ester

4-Chloro-2-(methylthio)-5-pyrimidineacetic acid ethyl ester

Ethyl [4-chloro-2-(methylsulfanyl)pyrimidin-5-yl]acetate

NSC 165400

Ethyl 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)acetate

Ethyl 4-chloro-2-(methylthio)pyrimidine-5-acetate

61727-34-2