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ChemicalBook--->CAS DataBase List--->717106-69-9

717106-69-9

717106-69-9 Structure

717106-69-9 Structure
IdentificationBack Directory
[Name]

Methyl 2-(6-chloropyridin-3-yl)acetate
[CAS]

717106-69-9
[Synonyms]

Methyl 2-(6-Chloro-3-pyridyl)acetate
Methyl 2-(6-chloropyridin-3-yl)acetate
2-Chloropyridine-5- acetic acidMethyl ester
6-Chloro-3-pyridineacetic acid methyl ester
3-Pyridineacetic acid, 6-chloro-, methyl ester
[Molecular Formula]

C8H8ClNO2
[MDL Number]

MFCD15526721
[MOL File]

717106-69-9.mol
[Molecular Weight]

185.61
Chemical PropertiesBack Directory
[Boiling point ]

133-135 °C(Press: 3 Torr)
[density ]

1.259±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

-0.40±0.10(Predicted)
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C8H8ClNO2/c1-12-8(11)4-6-2-3-7(9)10-5-6/h2-3,5H,4H2,1H3
[InChIKey]

NYAZLFKSCFNMKV-UHFFFAOYSA-N
[SMILES]

C1=NC(Cl)=CC=C1CC(OC)=O
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H302-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2-(6-chloropyridin-3-yl)acetate(717106-69-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methanol

67-56-1

2-(6-Chloropyridin-3-yl)acetic acid

39891-13-9

Methyl 2-(6-chloropyridin-3-yl)acetate

717106-69-9

Synthesis of compound 169.2. Concentrated sulfuric acid (1.9 mL) was slowly added to a solution of 2-chloropyridine-5-acetic acid (5.0 g, 29.23 mmol, 1.0 equiv) in methanol (50 mL) at room temperature. The reaction mixture was stirred at room temperature for 1 hour. Upon completion of the reaction, the mixture was poured into saturated sodium bicarbonate solution and extracted three times with ethyl acetate (EtOAc). The organic layers were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography to afford methyl 2-chloro-5-pyridylacetate (169.2, 5.0 g, 92.4% yield). MS (ES): m/z 185.4 [M + H]+.

[References]

[1] Patent: WO2015/131080, 2015, A1. Location in patent: Paragraph 00918; 00919
[2] Patent: US2016/251376, 2016, A1. Location in patent: Paragraph 0759; 0760; 0761
[3] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2004, vol. 43, # 4, p. 864 - 868
[4] Patent: WO2014/70979, 2014, A1. Location in patent: Page/Page column 23
[5] Patent: US2014/142081, 2014, A1. Location in patent: Paragraph 0872-0874
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