Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate

Name: Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
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CAS No. 161798-03-4
Cat. No. CS-0040649
Purity≥98%
MDL No.MFCD13194811

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate|CS-0040649

Structure of 161798-03-4

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General Information

CAS No. 161798-03-4
Cat. No. CS-0040649
Purity ≥98%
MDL No. MFCD13194811
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₂₁NO₄S
Molecular Weight None
Synonym(s) ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILES O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C=O)=C2)S1)OCC

Description

Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate features a formyl group at the meta position relative to a strategically placed isobutoxy substituent, enabling selective functionalization. The thiazole core integrates electron-rich and sterically shielded elements, enhancing stability under standard bench conditions. This scaffold supports modular derivatization in medicinal chemistry workflows.

Application

Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate serves as a versatile building block for the synthesis of functionalized heterocycles and bioactive scaffolds. The pendant aldehyde group enables efficient derivatization via imine formation, reductive amination, or Wittig-type reactions, while the thiazole core provides structural rigidity and potential for metal coordination. The isobutoxy substituent enhances solubility and modulates electronic properties, and the ester functionality supports further transformations such as hydrolysis or cross-coupling. This compound exhibits good bench stability and facilitates straightforward purification by column chromatography, making it well-suited for iterative synthetic campaigns in medicinal chemistry and process development.

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 65.49
LogP 4.14252
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 7

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Thiazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate

CAS No. 161798-03-4

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