72293-11-9

Basic information

• Product Name: 2-(4-Chlorophenyl)-3-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
• CAS NO: 72293-11-9
• Molecular Formula: C₁₆H₁₄ClNO₂S
• Molecular Weight: 319.812
• Mol File: 72293-11-9.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2-(4-Chlorophenyl)-3-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-Chlorophenyl)-3-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one(72293-11-9)
• EPA Substance Registry System: 2-(4-Chlorophenyl)-3-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one(72293-11-9)

Safety Data

• Hazardous Substances Data: 72293-11-9(Hazardous Substances Data)

Usage

Chemical class

Thiazepine drugs

Molecular structure

Benzothiazepine ring system with a hydroxymethyl group attached to the third carbon

Pharmacological activities

Antipsychotic, anxiolytic, and potential treatment of neurological and psychiatric disorders

Receptor activity

Serotonin and dopamine receptors

Unique properties

Interesting subject of study in medicinal chemistry and drug development

Molecular weight

330.83

Physical state

Solid

Appearance

White or off-white crystalline powder

Solubility

Slightly soluble in water, soluble in organic solvents such as methanol and dimethyl sulfoxide (DMSO)

Melting point

198-200°C (392-392.4°F)

Upstream product

• 87707-90-2 2-[(2-Amino-phenylsulfanyl)-(4-chloro-phenyl)-methyl]-malonic acid diethyl ester 
• 137-07-5 2-amino-benzenethiol 
• 6827-40-3 diethyl 4-chlorobenzylidenemalonate 
• 72293-10-8 (2R,3S)-2-(4-Chloro-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepine-3-carboxylic acid ethyl ester 

Downstream Products

• 72293-30-2 (2S,3R)-2-(4-Chloro-phenyl)-3-(4-methyl-piperazin-1-ylmethyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one 
• 72293-34-6 (2S,3S)-3-Chloromethyl-2-(4-chloro-phenyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one 
• 117553-57-8 Methanesulfonic acid (2R,3R)-2-(4-chloro-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-ylmethyl ester 

Relevant articles and documents

Synthesis of 2-aryl-2,3-dihydro-3-piperazinylmethyl-1,5-benzothiazepin-4(5H)-ones nd related compounds

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1,5-Benzothiazepine compounds

Cis or trans-1,5-benzothiazepine compounds represented by the formula (I): STR1 wherein R1 represents a hydrogen atom, a halogen atom, an alkyl group or an alkoxy group and R2 represents a hydrogen atom, an alkyl group or a hydroxyal