Benzo[b]thiophene-4-carboxylic acid

Name: Benzo[b]thiophene-4-carboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 10134-95-9
Cat. No. CS-W022577
Purity≥96%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Benzo[b]thiophene-4-carboxylic acid|CS-W022577

Structure of 10134-95-9

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General Information

CAS No. 10134-95-9
Cat. No. CS-W022577
Purity ≥96%
MDL No. None
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆O₂S
Molecular Weight 178.21
Synonym(s) BENZOTHIOPHENE-4-CARBOXYLIC ACID
SMILES OC(=O)C1=CC=CC2=C1C=CS2

Description

Benzo[b]thiophene-4-carboxylic acid features a fused heterocyclic core with a carboxylic acid group at the 4-position, offering enhanced stability and solubility in polar solvents. This scaffold integrates readily into pharmaceutical intermediates and functional materials, enabling efficient derivatization through standard coupling reactions under mild conditions.

Application

Benzo[b]thiophene-4-carboxylic acid serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to fused heterocyclic scaffolds. Its carboxylic acid functionality facilitates direct amidation, esterification, and coupling reactions, while the rigid benzo[b]thiophene core provides excellent metabolic stability and π-conjugation for applications in pharmaceuticals and organic semiconductors. The compound exhibits good bench stability and is readily purified by recrystallization or column chromatography.

Synthesis

Route1
- In-stock
  
  5118-13-8
- 124-38-9
- ~75%
- In-stock
  
  10134-95-9
References
- Dahnke, Karl Robert; Lin, Ho-Shen; Richett, Michael Enrico; Shih, Chuan; Wang, Q May; Zhang, Bo Patent: US2008/306082 A1, 2008 ; Location in patent: Page/Page column 18 ;
Route2
- 246177-18-4
- In-stock
  
  107-21-1
- ~%
- In-stock
  
  10134-95-9
References
- US6420391 B1, ;

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

Quality Control

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Computational Chemistry Data

TPSA 37.3
LogP 2.5995
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiophene compounds

Key Words

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Benzo[b]thiophene-4-carboxylic acid

CAS No. 10134-95-9

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