34933-06-7

Basic information

• Product Name: 3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
• Synonyms: 3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one;ACETIC ACID (2R,3S)-5-(2-DIMETHYLAMINO-ETHYL)-2-(4-METHOXY-PHENYL)-4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]THIAZEPIN-3-YL ESTER;1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-;(2S,3R)-2,3-Dihydro-2-(4-methoxyphenyl)-3-hydroxy-5-[2-(dimethylamino)ethyl]-1,5-benzothiazepine-4(5H)-one acetate;Acetic acid [(2S)-2,3,4,5-tetrahydro-5-[2-(dimethylamino)ethyl]-4-oxo-2β-(4-methoxyphenyl)-1,5-benzothiazepin]-3α-yl ester;l-trans-Diltiazem;5-[2-(Dimethylamino)ethyl]-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-ol acetate;(2R,3S)-2,3-Dihydro-2-(4-methoxyphenyl)-3-hydroxy-5-[2-(dimethylamino)ethyl]-1,5-benzothiazepine-4(5H)-one acetate
• CAS NO: 34933-06-7
• Molecular Formula: C₂₂H₂₆N₂O₄S
• Molecular Weight: 414.51784
• EINECS: 252-295-2
• Product Categories: Miscellaneous Biochemicals
• Mol File: 34933-06-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 594.4°Cat760mmHg
• Flash Point: 313.3°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 4.27E-14mmHg at 25°C
• Refractive Index: 1.62
• CAS DataBase Reference: 3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one(34933-06-7)
• EPA Substance Registry System: 3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one(34933-06-7)

Safety Data

• Hazardous Substances Data: 34933-06-7(Hazardous Substances Data)

Usage

Description

3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one is a complex organic compound belonging to the class of lactams. It features a 2,3-dihydro-1,5-benzothiazepin-4(5H)-one core structure with a 4-methoxyphenyl group at position 2 and an acetoxy group at position 3. Additionally, the hydrogen atom attached to the nitrogen is substituted by a 2-(dimethylamino)ethyl group, which may contribute to its potential applications in various fields.

Uses

Used in Pharmaceutical Industry:
3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one is used as a pharmaceutical compound for its potential therapeutic properties. The presence of the 2-(dimethylamino)ethyl group may provide the molecule with specific biological activities, making it a candidate for the development of new drugs targeting various medical conditions.
Used in Chemical Research:
In the field of chemical research, 3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one can be used as a starting material or intermediate for the synthesis of more complex molecules with diverse applications. Its unique structural features may allow for the development of novel chemical entities with improved properties and functionalities.
Used in Material Science:
3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one may also find applications in material science, particularly in the development of new materials with specific properties. The combination of the benzothiazepin core and the various substituents could lead to materials with unique electronic, optical, or mechanical characteristics, which could be useful in various industrial applications.

InChI:InChI=1/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3

Upstream product

• 108-24-7 acetic anhydride 
• 23515-44-8 5-(2-dimethylamino-ethyl)-3c-hydroxy-2r-(4-methoxy-phenyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one 
• 27068-88-8 3c-hydroxy-2r-(4-methoxy-phenyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one 
• 154076-93-4 ethyl (Z)-2-(2-methoxyethoxy)methoxy-3-(4-methoxyphenyl)-2-propenoate 
• 27068-88-8 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one 
• 23515-44-8 5-(2-dimethylamino-ethyl)-3t-hydroxy-2r-(4-methoxy-phenyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one 
• 80344-17-8 3-[2-(2-dimethylamino-ethylamino)-phenylsulfanyl]-2-hydroxy-3-(4-methoxy-phenyl)-propionic acid 

Downstream Products

• 31964-29-1 {2-[3c-acetoxy-2r-(4-methoxy-phenyl)-4-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl]-ethyl}-ethyl-dimethyl-ammonium; bromide 
• 31964-30-4 {2-[3c-acetoxy-2r-(4-methoxy-phenyl)-4-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl]-ethyl}-dimethyl-propyl-ammonium; bromide 
• 31964-28-0 {2-[3c-acetoxy-2r-(4-methoxy-phenyl)-4-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazepin-5-yl]-ethyl}-trimethyl-ammonium; iodide 
• 42399-41-7 diltiazem 
• 75472-92-3 L-cis-diltiazem 

Relevant articles and documents

Process for the preparation of Diltiazem

A process for the preparation of Diltiazem of formula (I) STR1 starting from the corresponding benzothiazepine and carried out throughout a 11 the steps in a single solvent.

Stereoselective addition of 2-aminothiophenol to α-alkoxycinnamic acid derivatives - Alternative synthesis of (±)-diltiazem

A stereocontrolled synthesis of (±)-diltiazem by applying nucleophilic addition of 2-aminothiophenol to α-alkoxycinnamic acid derivatives is described.