Methyl 6-chlorobenzo[b]thiophene-2-carboxylate

Name: Methyl 6-chlorobenzo[b]thiophene-2-carboxylate
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CAS No. 104795-85-9
Cat. No. CS-0150787
Purity≥98%
MDL No.MFCD09027103

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 6-chlorobenzo[b]thiophene-2-carboxylate|CS-0150787

Structure of 104795-85-9

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Description

Methyl 6-chlorobenzo[b]thiophene-2-carboxylate is a bench-stable heterocyclic ester featuring a chlorine substituent at the 6-position, enhancing electrophilic reactivity. This electron-deficient scaffold integrates readily into cross-coupling and cyclization workflows, enabling efficient access to complex thiophene-based architectures in medicinal chemistry and materials synthesis.

Application

Methyl 6-chlorobenzo[b]thiophene-2-carboxylate serves as a versatile building block in medicinal chemistry and materials science, enabling direct functionalization at the 5-position via palladium-catalyzed cross-coupling reactions. The chloro substituent offers high stability under standard reaction conditions and facilitates orthogonal transformations. Its bench-stable nature and compatibility with diverse synthetic workflows make it ideal for constructing complex heterocyclic scaffolds found in pharmaceutical intermediates and optoelectronic materials.

General Information

CAS No. 104795-85-9
Cat. No. CS-0150787
Purity ≥98%
MDL No. MFCD09027103
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₇ClO₂S
Molecular Weight 226.68
Synonym(s) Methyl 6-chloro-1-benzothiophene-2-carboxylate
SMILES COC(=O)C1=CC2=C(C=C(C=C2)Cl)S1

Computational Chemistry Data

TPSA 26.3
LogP 3.3413
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiophene compounds

Key Words

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Methyl 6-chlorobenzo[b]thiophene-2-carboxylate

CAS No. 104795-85-9

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