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ChemicalBook--->CAS DataBase List--->56055-54-0

56055-54-0

56055-54-0 Structure

56055-54-0 Structure
IdentificationBack Directory
[Name]

METHYL 5,6-DICHLORONICOTINATE
[CAS]

56055-54-0
[Synonyms]

3W-0272
ZINC00168870
METHYL 5,6-DICHLORONICOTINATE
Methyl 5,6-dichloronicotinate 97%
Methyl 5,6-dichloropyridine-3-carboxylate
5,6-dichloro-3-pyridinecarboxylic acid methyl ester
3-pyridinecarboxylic acid, 5,6-dichloro-, methyl ester
Methyl 5,6-dichloropyridine-3-carboxylate, 5,6-Dichloro-3-(methoxycarbonyl)pyridine
Methyl 5,6-dichloropyridine-3-carboxylate, 2,3-Dichloro-5-(methoxycarbonyl)pyridine
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C7H5Cl2NO2
[MDL Number]

MFCD00125367
[MOL File]

56055-54-0.mol
[Molecular Weight]

206.03
Chemical PropertiesBack Directory
[Melting point ]

63-65°C
[Boiling point ]

265.5±35.0 °C(Predicted)
[density ]

1.426±0.06 g/cm3(Predicted)
[storage temp. ]

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

-2.84±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 5,6-DICHLORONICOTINATE(56055-54-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methanol

67-56-1

5,6-Dichloronicotinic acid

41667-95-2

METHYL 5,6-DICHLORONICOTINATE

56055-54-0

1. 5,6-Dichloropyridine-3-carboxylic acid (5 g) and thionyl chloride (3.10 g) were dissolved in methanol (20 mL) and the reaction was stirred overnight at 25 °C. 2. Upon completion of the reaction, cold water (100 mL) was added to the mixture and the mixture was neutralized with saturated sodium bicarbonate solution to pH neutral. 3. The aqueous layer was extracted using dichloromethane (2 x 100 mL). 4. The organic layers were combined, dried with anhydrous sodium sulfate and filtered to remove the drying agent. 5. The filtrate was concentrated under reduced pressure to give 5,6-dichloronicotinic acid methyl ester (5 g) as a white solid. 6. dried with anhydrous sodium sulfate and filtered to remove the desiccant. 5. The filtrate was concentrated under reduced pressure to give methyl 5,6-dichloronicotinate (5 g) as a white solid. 6. Mass Spectrometry (ESI): theoretical value of 205 for C7H5Cl2NO2; measured 206 [M + H]. 7.

[References]

[1] Patent: WO2008/7900, 2008, A1. Location in patent: Page/Page column 15; 26
[2] Patent: US2009/209540, 2009, A1. Location in patent: Page/Page column 15; 7
[3] Patent: WO2008/128968, 2008, A1. Location in patent: Page/Page column 51
[4] Journal of Medicinal Chemistry, 2006, vol. 49, # 12, p. 3719 - 3742
[5] Patent: WO2018/165385, 2018, A1. Location in patent: Paragraph 00391
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