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Home > Encyclopedia > Pyridinium, 1-(2-ethoxy-2-oxoethyl)-, bromide (1:1)

Pyridinium, 1-(2-ethoxy-2-oxoethyl)-, bromide (1:1)

Pyridinium, 1-(2-ethoxy-2-oxoethyl)-, bromide (1:1) structure

Pyridinium, 1-(2-ethoxy-2-oxoethyl)-, bromide (1:1) 

structure
  • CAS No:

    17282-40-5

  • Formula:

    C9H12NO2.Br

  • Chemical Name:

    Pyridinium, 1-(2-ethoxy-2-oxoethyl)-, bromide (1:1)

  • Synonyms:

    Pyridinium,1-(2-ethoxy-2-oxoethyl)-,bromide (1:1);Pyridinium,1-(carboxymethyl)-,bromide,ethyl ester;Pyridinium,1-(2-ethoxy-2-oxoethyl)-,bromide;Ethoxycarbonylmethylpyridinium bromide;N-(Ethoxycarbonylmethyl)pyridinium bromide;1-(Ethoxycarbonylmethyl)pyridinium bromide;1-(2-Ethoxy-2-oxoethyl)pyridinium bromide;N-(2-Ethoxy-2-oxoethyl)pyridinium bromide;1-(2-Ethoxy-2-oxoethyl)pyridin-1-ium bromide

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Pyridinium, 1-(2-ethoxy-2-oxoethyl)-, bromide (1:1) Basic Attributes

246.1

245.005127

75239

2933399090

Characteristics

30.2

-2.45880

112-115 °C @ Solvent: Chloroform

Safety Information

IRRITANT

Pyridinium, 1-(2-ethoxy-2-oxoethyl)-, bromide (1:1) Use and Manufacturing

Synthesis of Compound Represented by Chemical Formula 11The compound represented by Chemical Formula 11 was synthesized according to the following Reaction Scheme 3. First Step: Synthesis of Intermediate Product (G)105.0 g (628.4 mmol) of ethylbromoacetate and 994.67 g (12.6 mol) of pyridine were suspended in a solvent, and the suspended solution was reacted at room temperature for 2 hours. Then, the obtained reactant was precipitated by adding 1, 000 ml of diethylether thereto. The precipitated solid compound was filtered, separated, cleaned with diethylether, and dried, obtaining 152.3 g of a light yellow solid intermediate product (G) (yield: 98percent).Example37 N- (2- ( (2- (dimethylamino) ethyl) (methyl) amino) -5- ( (4- (indolizin-1-yl) pyrimidin-2-yl) amino)-6-methoxypyridin-3-yl) acrylamide (37) 1- (2-ethoxy-2-oxoethyl) pyridin-1-iumbromide (37a) A mixture of pyridine (2.00 g, 25.30 mmol) and ethyl 2-bromoacetate (6.3 g, 38.00 mmol) in EtOH (20 mL) was heated under nitrogen at 70 for 1 h. The solvent was evaporated under reduced pressure. The residue was filtered through celite pad and the pad was washed with PE, gave 6.9 g 1- (2-ethoxy-2-oxoethyl) pyridin-1-ium bromide (37a) . MS-ESI (m/z) : 167 [M + 1]

Computed Properties

Molecular Weight:246.10
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:245.00514
Monoisotopic Mass:245.00514
Topological Polar Surface Area:30.2
Heavy Atom Count:13
Complexity:142
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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