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Home > Encyclopedia > ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER

ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER

ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER structure

ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER 

structure
  • CAS No:

    27104-72-9

  • Formula:

    C11H9NO2

  • Chemical Name:

    ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER

  • Synonyms:

    ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER;1-Isoquinolinecarboxylic acid methyl ester;Methyl 1-isoquinolinecarboxylate;Methyl isoquinoline-1-carboxylate

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER Basic Attributes

187.198

187.06300

DTXSID60611313

2933499090

Characteristics

39.2

2.3

1.21

ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER Use and Manufacturing

To a solution of isoquinoline-1-carboxylic acid (10 g, 57.74 mmol) in MeOH (150 mL) was added concentrated sulfuric acid (15 mL) at 0° C. To a suspension of 1-isoquinoline carboxylic acid (3.00 g, 17.3 mmol) in MeOH (30 mL) was added SOCl

Computed Properties

Molecular Weight:187.19
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:187.063328530
Monoisotopic Mass:187.063328530
Topological Polar Surface Area:39.2
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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