7-Methoxyisoquinoline

Basic Information

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CAS Number

39989-39-4

Molecular Formula

C10H9NO

Molecular Weight

159.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

49°C

Boiling Point

295.6°C at 760 mmHg

Refractive Index

1.6070 (estimate)

SMILES

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COC1=CC2=C(C=C1)C=CN=C2

InChI

InChI=1S/C10H9NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-7H,1H3

InChIKey

PNNUXNXZDJVGSB-UHFFFAOYSA-N

LogP

2.2433999999999994

Topological Polar Surface Area

22.12 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

149

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

J-519297
AC-18639
Isoquinoline, 7-methoxy-
7-Methoxyisoquinoline
DTXSID30344085
7-Methoxy-isoquinoline
MFCD09030747
FT-0658160
BL003853
BCP16502
SCHEMBL127857
SY021161
CS-0043907
AKOS006229955
AB01006047-01
7-Isoquinolinyl methyl ether #
7-methoxyisoquinoline, AldrichCPR
AMY1787
A26448
PS-6083
EN300-58608
39989-39-4
7-Isoquinolinyl methyl ether
Isoquinoline,7-methoxy-
7-Methoxyisochinolin
7-Methoxy-isoquinolin
Isoquinolin
Isoquinoline,7-methoxy
PNNUXNXZDJVGSB-UHFFFAOYSA-N
PubChem6277
EN000004

MDL Number

MFCD09030747

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 7-Methoxyisoquinoline (CAS: 39989-39-4)?

7-Methoxyisoquinoline (CAS: 39989-39-4) is a crystalline solid with a molecular weight of approximately 181.18 g/mol. It has a moderate solubility in common organic solvents like ethanol and acetone but is poorly soluble in water. Chemically, it is moderately reactive, particularly towards nucleophilic substitution reactions. Its properties include a melting point of around 95-98°C and a boiling point of about 250°C. This compound is stable under normal conditions but should be stored in a cool, dry place away from strong acids and bases.

How is 7-Methoxyisoquinoline (CAS: 39989-39-4) typically synthesized?

7-Methoxyisoquinoline (CAS: 39989-39-4) is typically synthesized via the methylation of isoquinoline followed by an oxygenation reaction. Common methods involve the use of methyl bromide and a suitable base in an aprotic solvent, followed by treatment with a peroxyacid to introduce the oxygen functionality. The overall yield can be up to 80%, and the reaction is selective with high purity products. Catalytic hydrogenation can also be used to modify the product further.

What industries use 7-Methoxyisoquinoline (CAS: 39989-39-4)?

7-Methoxyisoquinoline (CAS: 39989-39-4) is primarily used in the pharmaceutical industry for the synthesis of certain alkaloids and as a precursor in drug development. It also finds applications in polymer science, particularly in the development of conducting polymers, and in the production of sensors for detecting various analytes. Additionally, it has potential uses in the production of semiconductors due to its electronic properties.

What precautions should be taken when handling 7-Methoxyisoquinoline (CAS: 39989-39-4)?

When handling 7-Methoxyisoquinoline (CAS: 39989-39-4), appropriate personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. The substance should be stored in a cool, dry place and handled in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate spill kits. Safety data sheets (SDS) should always be consulted for detailed handling and emergency procedures. Due to its moderate reactivity, it should be kept away from strong acids and bases.