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Home > Encyclopedia > 1,3-DICHLORO-5-METHYLISOQUINOLINE

1,3-DICHLORO-5-METHYLISOQUINOLINE

1,3-DICHLORO-5-METHYLISOQUINOLINE structure

1,3-DICHLORO-5-METHYLISOQUINOLINE 

structure
  • CAS No:

    21902-40-9

  • Formula:

    C10H7Cl2N

  • Chemical Name:

    1,3-DICHLORO-5-METHYLISOQUINOLINE

  • Synonyms:

    1,3-DICHLORO-5-METHYLISOQUINOLINE;SCHEMBL11794116;CTK4E7938;DTXSID70615483;1,3-dichloro-5-methyl-isoquinoline;ZINC67175733;Isoquinoline,1,3-dichloro-5-methyl-;AKOS022172451;QC-9396;AS-61255

1,3-DICHLORO-5-METHYLISOQUINOLINE Basic Attributes

212.08

210.99600

DTXSID70615483

2933499090

Characteristics

12.9

4.4

1.351

320.7°C at 760 mmHg

177.3ºC

1,3-DICHLORO-5-METHYLISOQUINOLINE Use and Manufacturing

N-Bromosuccinimide (0.77 mL, 9.05 mmol) and AIBN (248 mg, 1.51 mmol) were added portionwise to a suspension of A solution of 2-(cyanomethyl)-3-methylbenzoic acid (1.90 g, 10.85 mmol) dissolved in phosphorus oxychloride (3.33 g, 21.69 mmol) was treated with phosphorus pentachloride (2.26 g, 10.85 mmol) at 0 C under a nitrogen atmosphere. The resulting mixture was stirred at 0 C for 2 hours before stirring at ambient temperature for 3 days. The reaction mixture was carefully quenched into ice water (250 mL) and extracted into DCM (300 mL). The organic layer was dried over MgSO4, filtered and evaporated to afford crude EXAMPLE B 1-Thiomorpholino-3-chloro-5-methyl-isoquinoline A mixture of 23.3 gm (0.11 mol) of

Computed Properties

Molecular Weight:212.07
XLogP3:4.4
Hydrogen Bond Acceptor Count:1
Exact Mass:210.9955546
Monoisotopic Mass:210.9955546
Topological Polar Surface Area:12.9
Heavy Atom Count:13
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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