Methyl 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylate

Basic Information

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CAS Number

1455091-10-7

Molecular Formula

C17H13NO4

Molecular Weight

295.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

534.7±45.0℃/760mmHg

SMILES

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COC(=O)c1c(c2ccc(cc2cn1)Oc3ccccc3)O

InChI

InChI=1S/C17H13NO4/c1-21-17(20)15-16(19)14-8-7-13(9-11(14)10-18-15)22-12-5-3-2-4-6-12/h2-10,19H,1H3

InChIKey

YTWDBRIDKWWANA-UHFFFAOYSA-N

LogP

3.5193000000000025

Topological Polar Surface Area

68.65 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

383

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
FG-4592 interMediate
FG4592intermediates
YTWDBRIDKWWANA-UHFFFAOYSA-N
SB18195
AK543074
SY116728
4-Hydroxy-7-phenoxyisoquinoline-3-carboxylic acid methyl ester
4-hydroxy-7-phenoxy-isoquinoline-3-carboxylic acid methyl ester
4-Hydroxy-7-phenoxy-3-isoquinolinecarboxylic acid methyl ester

MDL Number

MFCD29075436

FAQ

What are the physical and chemical properties of Methyl 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylate (CAS: 1455091-10-7)?

Methyl 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylate (CAS: 1455091-10-7) is a crystalline compound with a molecular weight of approximately 316.31 g/mol. It has a solubility of 0.1 g/L in water and is slightly soluble in common organic solvents like acetone and ethanol. This compound is relatively stable but can react with bases to form alkali salts. It is generally insoluble in water but has good solubility in organic solvents.

How is Methyl 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylate (CAS: 1455091-10-7) typically synthesized?

Methyl 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylate (CAS: 1455091-10-7) is typically synthesized through a multi-step reaction sequence involving the condensation of a phenoxy derivative with an isoquinoline carboxylic acid. This process often uses a Lewis acid catalyst, such as aluminum chloride, to facilitate the nucleophilic substitution reaction. The final product is obtained with good selectivity and yield, typically around 80%. This compound is often prepared in a laboratory setting for further chemical modification or analysis.

What industries use Methyl 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylate (CAS: 1455091-10-7)?

Methyl 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylate (CAS: 1455091-10-7) is primarily used in the pharmaceutical industry for the development of novel drug candidates due to its unique chemical structure. It is also utilized in the research and development of new materials for sensors and semiconductors, where its specific properties may offer advantages in sensitive detection and electronic applications.

What precautions should be taken when handling Methyl 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylate (CAS: 1455091-10-7)?

When handling Methyl 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylate (CAS: 1455091-10-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to prevent skin contact and eye irritation. It is advisable to use a fume hood when performing operations to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. It is recommended to consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.