Methyl 4-bromoisoquinoline-1-carboxylate | CAS No. 1512077-05-2

Methyl 4-bromoisoquinoline-1-carboxylate

Basic Information

CAS Number

1512077-05-2

Molecular Formula

C11H8BrNO2

Molecular Weight

266.09 g/mol

AD

Basic Physical Properties

COC(=O)c1ncc(c2c1cccc2)Br

InChI

InChI=1S/C11H8BrNO2/c1-15-11(14)10-8-5-3-2-4-7(8)9(12)6-13-10/h2-6H,1H3

InChIKey

KNFXYFNXGJHAEI-UHFFFAOYSA-N

LogP

2.783900000000001

Topological Polar Surface Area

39.19 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

247

Synonyms & References

English

  • Methyl 4-bromoisoquinoline-1-carboxylate

MDL Number

MFCD22097871

FAQ

What are the physical and chemical properties of Methyl 4-bromoisoquinoline-1-carboxylate (CAS: 1512077-05-2)?

Methyl 4-bromoisoquinoline-1-carboxylate (CAS: 1512077-05-2) is a crystalline compound with a molecular weight of approximately 289.05 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and acetonitrile. The compound is moderately reactive, particularly towards nucleophiles. It is stable under normal storage conditions but should be handled with care due to its bromine content.

How is Methyl 4-bromoisoquinoline-1-carboxylate (CAS: 1512077-05-2) typically synthesized?

Methyl 4-bromoisoquinoline-1-carboxylate (CAS: 1512077-05-2) is typically synthesized through a bromination reaction of 4-aminomethylisoquinoline-1-carboxylic acid. The process involves treating the amine with N-bromosuccinimide (NBS) in the presence of a suitable catalyst under appropriate conditions. The yield can be improved by optimizing the reaction parameters, such as temperature and solvent choice.

What industries use Methyl 4-bromoisoquinoline-1-carboxylate (CAS: 1512077-05-2)?

Methyl 4-bromoisoquinoline-1-carboxylate (CAS: 1512077-05-2) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also utilized in the semiconductor industry for the production of specific organic compounds used in electronic applications and as a precursor in the manufacturing of polymers with unique properties.

What precautions should be taken when handling Methyl 4-bromoisoquinoline-1-carboxylate (CAS: 1512077-05-2)?

When handling Methyl 4-bromoisoquinoline-1-carboxylate (CAS: 1512077-05-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. Fume hoods should be used during handling to minimize exposure to bromine fumes. In case of a spill, neutralize the spill with an appropriate neutralizing agent and dispose of it according to local regulations. Refer to the SDS for detailed safety information.

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