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ETHYL 6-METHYLPYRIDINE-3-CARBOXYLATE

ETHYL 6-METHYLPYRIDINE-3-CARBOXYLATE structure

CAS No:
21684-59-3
Formula:
C9H11NO2
Chemical Name:
ETHYL 6-METHYLPYRIDINE-3-CARBOXYLATE
Synonyms:
ETHYL 6-METHYLPYRIDINE-3-CARBOXYLATE;6-Methylpyridine-3-carboxylic acid ethyl ester;Ethyl 6-methylnicotinate;6-Methyl-nicotinicacidethylester;6-methyl-3-pyridinecarboxylic acid ethyl ester
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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ETHYL 6-METHYLPYRIDINE-3-CARBOXYLATE Basic Attributes

Molecular Weight：

165.18914

Exact Mass：

165.07900

NSC Number：

135041

DSSTox ID：

DTXSID00300133

HScode：

2933399090

Characteristics

PSA：

39.2

XLogP3：

1.7

Density：

1.077g/cm3

Boiling Point：

228.9°C at 760 mmHg

Flash Point：

92.2ºC

Refractive Index：

1.506

Vapor Pressure：

0.0715mmHg at 25°C

ETHYL 6-METHYLPYRIDINE-3-CARBOXYLATE Use and Manufacturing

Preparation of ethyl 6-Methyl-3-nicotinoate Commercially available 6-methylnicotinic acid (4.96 g; 36.2 mmol) and molecular sieves (5 g) were suspended in absolute ethanol (200 ml).. Concentrated H2SO4 (5 ml) was added and the mixture was heated to reflux for approximately 30 hours.. It was then filtered, and evaporated to a small volume at ambient temperature under reduced pressure.. The residue was diluted with 1 N sodium hydroxide and extracted with dichloromethane.. The dichloromethane was separated, dried with anhydrous potassium carbonate, and evaporated at ambient temperature under reduced pressure, giving ethyl 6-methyl-3-nicotinoate (1.21 g) as a pale yellow oil without further purification. 1H-NMR (CDCl3)·1.39 (t, 3H), 2.62 (s, 3H), 4.39 (q, 2H), 7.24 (d, 1H), 8.17 (d, 1H), 9.09 (s, 1H).

Computed Properties

Molecular Weight:165.19
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:165.078978594
Monoisotopic Mass:165.078978594
Topological Polar Surface Area:39.2
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 21684-59-3

Grade: Pharmaceutical Grade

Content: 99%

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Guide of ETHYL 6-METHYLPYRIDINE-3-CARBOXYLATE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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Latest News
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ETHYL 6-METHYLPYRIDINE-3-CARBOXYLATE

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