3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine

Name: 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 26723-60-4
Cat. No. CS-0151122
Purity≥97%
MDL No.MFCD07368144

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine|CS-0151122

Structure of 26723-60-4

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General Information

CAS No. 26723-60-4
Cat. No. CS-0151122
Purity ≥97%
MDL No. MFCD07368144
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₂ClNO₃S
Molecular Weight 309.77
Synonym(s) 3-Chloro-6,11-dihydro-6-methyldibenzo[C,F][1,2]thiazepin-11-OL 5,5-dioxide
SMILES CN1C2=CC=CC=C2C(C3=C(C=C(C=C3)Cl)S1(=O)=O)O

Description

This dibenzo[c,f][1,2]thiazepine derivative features a chlorinated aromatic core paired with a hydroxylated ketone moiety, enabling selective reactivity in heterocyclic synthesis. The methyldibenzo scaffold confers enhanced stability under standard bench conditions, while the 11-hydroxy and 5,5-dioxo functionalities facilitate downstream derivatization.

Application

3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine serves as a versatile scaffold for medicinal chemistry campaigns, enabling efficient access to complex heterocyclic architectures. Its functionalized core—featuring a chloro substituent, hydroxyl group, and dioxo moiety—supports diverse transformations including nucleophilic substitution and cyclization reactions. The compound exhibits bench stability and facilitates purification via standard chromatographic methods, making it well-suited for iterative synthesis in API development workflows.

Synthesis

Route1
- In-stock
  
  26638-53-9
- ~94%
- In-stock
  
  26723-60-4
References
- BIOPHORE INDIA PHARMACEUTICALS PVT. LTD.; RANGISETTY, Jagadeesh, Babu; PULLAGURLA, Manik, Reddy; BHUDETI, Rajesh Patent: WO2010/70667 A2, 2010 ; Location in patent: Page/Page column 5 ;

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-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 57.61
LogP 2.5602
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine

CAS No. 26723-60-4

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