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6-QUINOLINEACETICACID

6-QUINOLINEACETICACID structure

6-QUINOLINEACETICACID 

structure
  • CAS No:

    5622-34-4

  • Formula:

    C11H9NO2

  • Chemical Name:

    6-QUINOLINEACETICACID

  • Synonyms:

    6-Quinolylacetic acid;Quinolin-6-Yl-Acetic Acid;2-(quinolin-6-yl)acetic acid;6-Quinoline Acetic Acid, 97+%;6-Quinolylacetic acid 2-(Quinolin-6-yl)acetic acid

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

6-QUINOLINEACETICACID Basic Attributes

187.19

187.063324

DTXSID20472649

2933499090

Characteristics

50.2

1.7

1.3±0.1 g/cm3

225 °C (decomp)

388.7°C at 760 mmHg

188.9±20.9 °C

1.661

6-QUINOLINEACETICACID Use and Manufacturing

N-((4-chloro-2-methylp yl)quinolin-6-yl)acetamidea) 2-(quinolin-6-yl)acetic acidA mixture of / aminophenylacetic acid (20 g, 0.132 mol), FeSC>4 (4.9 g, 0.032 mol), glycerol (51 g, 0.555 mol), PhN0A mixture of compound 1 (276 g, 1.8 mol), ferrous sulfate (63.6 g, 0.22 mol), glycerol (696 g, 7.56 mol), nitrobenzene (138 g, 1.12 mol) and cone, sulfuric acid (324 mL) was heated gently. After the first vigorous reaction, the mixture was refluxed for five hours and then was treated with aq. sodium hydroxide solution (2 N, 1320 mL), stirred with kieselguhr, and filtered. The filtrate was basified with aq. sodium hydroxide solution to pH 5~6, and a dark brown precipitate formed. The precipitate was filtered, washed with water, taken up with aq. sodium hydroxide solution (0.82 N, 3000 mL), then boiled with carbon (150 g). The mixture was filtered and the filtrate was treated with glacial acetic acid (240 mL), and the mixture was left standing overnight during which time dark-brown crystalline precipitate formed. The precipitate was collected and dried in vacuo to give crude compound 2 (60 g, 17.8percent).

Computed Properties

Molecular Weight:187.19
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:187.063328530
Monoisotopic Mass:187.063328530
Topological Polar Surface Area:50.2
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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