Benzo[b]thiophen-3(2H)-one

Name: Benzo[b]thiophen-3(2H)-one
Brand: ChemScene
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CAS No. 130-03-0
Cat. No. CS-W003457
Purity≥97%
MDL No.MFCD08061607

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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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Structure of 130-03-0

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General Information

CAS No. 130-03-0
Cat. No. CS-W003457
Purity ≥97%
MDL No. MFCD08061607
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆OS
Molecular Weight 150.20
Synonym(s) 2H-1-benzothiophen-3-one
SMILES O=C1CSC2=CC=CC=C12

Description

Benzo[b]thiophen-3(2H)-one features a fused bicyclic core with a lactam-like carbonyl at the 3-position, offering enhanced stability and defined electronic properties. This scaffold integrates readily into synthetic routes for bioactive compounds, particularly in medicinal chemistry applications where planar, electron-deficient systems are advantageous.

Application

Benzo[b]thiophen-3(2H)-one serves as a versatile heterocyclic building block in medicinal chemistry and materials science, offering a stable, planar scaffold with well-documented reactivity at the carbonyl and thiophene positions. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient derivatization for API development and functional material synthesis.

Synthesis

Route1
- 65935-87-7
- ~67%
- In-stock
  
  130-03-0
References
- Mukherjee, Chandrani; Kamila, Sukanta; De, Asish Tetrahedron, 2003 , vol. 59, # 26 p. 4767 - 4774
Route2
- In-stock
  
  4209-25-0
- ~88%
- In-stock
  
  130-03-0
References
- Oh, Kyungsoo; Kim, Hyunjung; Cardelli, Francesco; Bwititi, Tamayi; Martynow, Anna M. Journal of Organic Chemistry, 2008 , vol. 73, # 6 p. 2432 - 2434
Route3
- In-stock
  
  3724-10-5
- ~%
- In-stock
  
  130-03-0
References
- Chem. Zentralbl., , vol. 79, # II p. 737 DE200593 ;

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 17.07
LogP 1.975
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Key Words

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Benzo[b]thiophen-3(2H)-one

CAS No. 130-03-0

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