2-Isobutoxy-1-(isobutoxycarbonyl)-1,2-dihydroquinoline

CAS No. 38428-14-7
Cat. No. CS-0015444
Purity≥95%
MDL No.MFCD00006702

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2-Isobutoxy-1-(isobutoxycarbonyl)-1,2-dihydroquinoline|CS-0015444

Structure of 38428-14-7

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Description

This dihydroquinoline derivative features a strategically positioned isobutoxycarbonyl group that enhances solubility and stability under standard reaction conditions. The 2-isobutoxy substituent contributes to favorable electronic modulation, enabling efficient coupling in synthetic transformations. Ideal for building complex scaffolds in medicinal chemistry workflows.

Application

2-Isobutoxy-1-(isobutoxycarbonyl)-1,2-dihydroquinoline serves as a versatile scaffold for the synthesis of functionalized quinoline derivatives. Its dihydroquinoline core enables subsequent oxidation to fully aromatic systems, while the isobutoxy and isobutoxycarbonyl groups offer orthogonal reactivity for selective transformations. The molecule exhibits good bench stability and facilitates purification via standard chromatographic methods, making it well-suited for medicinal chemistry and process development workflows.

General Information

CAS No. 38428-14-7
Cat. No. CS-0015444
Purity ≥95%
MDL No. MFCD00006702
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₂₅NO₃
Molecular Weight 303.40
Synonym(s) 2-Isopropoxy-1-isopropoxycarbonyl-1,2-dihydroquinoline; IIDQ; NSC 332545; Isobutyl 2-isobutoxyquinoline-1(2H)-carboxylate
SMILES O=C(N1C(OCC(C)C)C=CC2=C1C=CC=C2)OCC(C)C

Computational Chemistry Data

TPSA 38.77
LogP 4.3111
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 5

Safety Information

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GHS Pictogram :	GHS No : GHS08
Signal Word : Danger	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H341-H350
Precautionary Statements : P280-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds quinoline compounds

General Reagents Condensation Reaction & Active Esterification

Key Words

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2-Isobutoxy-1-(isobutoxycarbonyl)-1,2-dihydroquinoline

CAS No. 38428-14-7

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