Methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate

Name: Methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate
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CAS No. 1421312-34-6
Cat. No. CS-0056826
Purity≥98%
MDL No.None

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Methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate|CS-0056826

Structure of 1421312-34-6

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General Information

CAS No. 1421312-34-6
Cat. No. CS-0056826
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₁₅NO₄
Molecular Weight 309.32
Synonym(s) methyl4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate
SMILES O=C(C1=C(O)C2=C(C(C)=N1)C=C(OC3=CC=CC=C3)C=C2)OC

Description

Methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate features a rigid isoquinoline core with strategically positioned hydroxy, methoxy, and phenoxy substituents that enhance solubility and electronic modulation. This scaffold integrates readily into synthetic routes targeting bioactive heterocycles, offering robust stability under standard bench conditions.

Application

Methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate serves as a versatile building block for isoquinoline-based scaffolds, enabling efficient functionalization at the C4 hydroxyl and C7 phenoxy positions. Its bench-stable nature and compatibility with standard coupling reactions facilitate downstream derivatization in medicinal chemistry. The methyl ester group provides a handle for selective transformations, while the core structure supports applications in heterocyclic synthesis and API development.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 68.65
LogP 3.82772
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate

CAS No. 1421312-34-6

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