ChemicalBook--->CAS DataBase List--->39658-41-8

39658-41-8

39658-41-8 Structure

39658-41-8 Structure
IdentificationMore
[Name]

Ethyl 6-aminonicotinate
[CAS]

39658-41-8
[Synonyms]

6-AMINO-3-PYRIDINE CARBOXYLIC ACID ETHYL ESTER
6-AMINO-NICOTINIC ACID ETHYL ESTER
ETHYL 2-AMINO-5-PYRIDINECARBOXYLATE
ETHYL 2-AMINOPYRIDINE-5-CARBOXYLATE
ETHYL 6-AMINONICOTINATE
Ethyl 6-aminonicotinate 98%
ETHYL 6-AMINOPYRIDINE-3-CARBOXYLATE
Ethyl 6-aminonicotinate ,98%
[Molecular Formula]

C8H10N2O2
[MDL Number]

MFCD04972544
[Molecular Weight]

166.18
[MOL File]

39658-41-8.mol
Chemical PropertiesBack Directory
[Melting point ]

145-147
[Boiling point ]

314.7±22.0 °C(Predicted)
[density ]

1.192±0.06 g/cm3(Predicted)
[storage temp. ]

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

4.88±0.13(Predicted)
[Appearance]

Off-white to light brown Solid
[Detection Methods]

HPLC
[CAS DataBase Reference]

39658-41-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[Hazard Note ]

Irritant
[HS Code ]

2933399990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Methanol-->Thionyl chloride-->PETROLEUM ETHER-->Acetic anhydride-->Acetone-->Ammonia-->Benzene-->Potassium permanganate-->Sulfuryl chloride-->4-Dimethylaminopyridine-->2-Amino-5-methylpyridine
[Preparation Products]

ETHYL 6-(BIS-TERT-BUTOXYCARBONYL)AMINONICOTINAT-->6-Aminonicotinic acid
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 6-aminonicotinate(39658-41-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

To a suspension of 1.3 g (9.4 mmol) 6-aminonicotinic acid in 100 mL of ethanol, was bubbled in dry hydrochloric acid at 0° C., then the solution was refluxed until all the solids dissolved. The solvents were removed under reduced pressure, the residue dissolved in ethyl acetate, washed with saturated sodium bicarbonate, brine, and concentrated to afford 1.37 g of a white solid Ethyl 6-Aminonicotinate.
[References]

[1] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 5, p. 1151 - 1175
[2] Patent: WO2007/86080, 2007, A2. Location in patent: Page/Page column 37
[3] Patent: WO2010/3048, 2010, A1. Location in patent: Page/Page column 110
[4] Patent: WO2015/105779, 2015, A1. Location in patent: Page/Page column 11; 12
[5] Patent: US2016/333005, 2016, A1. Location in patent: Paragraph 0042-0043
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