CAS 3159-04-4

2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one

Description:

2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one is a heterocyclic compound characterized by its unique bicyclic structure that incorporates both sulfur and nitrogen atoms within a thiazepine ring. This compound features a chlorine substituent, which can influence its reactivity and biological activity. The presence of the thiazepine moiety suggests potential applications in medicinal chemistry, as thiazepines are often explored for their pharmacological properties. The compound's molecular structure includes two fused benzene rings, contributing to its stability and potential for π-π stacking interactions. Additionally, the carbonyl group in the thiazepinone structure may participate in hydrogen bonding, affecting solubility and reactivity. Due to its specific structural features, 2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one may exhibit interesting properties, making it a subject of interest in various fields, including organic synthesis and drug development. However, detailed studies on its biological activity and toxicity would be necessary to fully understand its potential applications.

Formula: C₁₃H₈ClNOS

InChI: InChI=1S/C13H8ClNOS/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)

InChI key: InChIKey=UHOLKGDSZJQEEB-UHFFFAOYSA-N

SMILES: O=C1C=2C(SC=3C(N1)=CC=CC3)=CC=C(Cl)C2

Synonyms:

• Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 2-chloro-
• 2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one
• 2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)

Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 2-chloro-

CAS: 3159-04-4

Formula: C₁₃H₈ClNOS

Purity: 98%

Color and Shape: Solid

Molecular weight: 261.7267

Ref: IN-DA00I5ZJ

2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one

CAS: 3159-04-4

2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one

Purity: 98%

Molecular weight: 261.73g/mol

Ref: 54-OR1005160

2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one

CAS: 3159-04-4

Purity: 95.0%

Molecular weight: 261.7200012207031

Ref: 10-F463621

2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one

Controlled Product

CAS: 3159-04-4

Applications 2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one is a useful synthetic intermediate in the synthesis of Clothiapine (C588550); an atypical antipsychotic of the dibenzothiazepine chemical class that has shown efficacy in treatment-resistant schizophrenic patients.
References Schmutz, J., et al.: Helvetica Chimica Acta 50, 245 (1967); Geller, V., et al.: Schizophrenia Research 80 (2-3), 343 (2005)

Formula: C₁₃H₈ClNOS

Color and Shape: Neat

Molecular weight: 261.73

Ref: TR-C363795