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2,2,4-Trimethyl-2,3-dihydro-1,5-benzothiazepine is a chemical compound belonging to the benzothiazepine class, characterized by a seven-membered ring structure with a sulfur atom and a nitrogen atom. 2,2,4-trimethyl-2,3-dihydro-1,5-benzothiazepine is specifically defined by the presence of three methyl groups (CH3) at the 2nd, 2nd, and 4th positions on the ring, and a double bond between the 2nd and 3rd carbon atoms, which together with the nitrogen atom, forms a dihydro structure. It is an organic molecule that can be found in various pharmaceutical and chemical applications, such as a precursor in the synthesis of certain drugs or as a component in complex organic reactions. The specific properties and reactivity of 2,2,4-trimethyl-2,3-dihydro-1,5-benzothiazepine are influenced by its unique molecular structure, which includes the presence of the benzene ring, the sulfur and nitrogen atoms, and the methyl substituents.

40358-29-0

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40358-29-0 Usage

Type of compound

Heterocyclic compound

Structure

Contains a benzene ring fused to a thiazepine ring

Derivation

Derived from the thiazepine class of compounds

Usage

Potential therapeutic agent in the pharmaceutical industry

Medical applications

Treatment of various medical disorders, including anxiety and depression

Importance

Promising candidate for drug development and further research in medicinal chemistry

Check Digit Verification of cas no

The CAS Registry Mumber 40358-29-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,3,5 and 8 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 40358-29:
(7*4)+(6*0)+(5*3)+(4*5)+(3*8)+(2*2)+(1*9)=100
100 % 10 = 0
So 40358-29-0 is a valid CAS Registry Number.

40358-29-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2,4-trimethyl-3H-1,5-benzothiazepine

1.2 Other means of identification

Product number -
Other names 2,2,4-trimethyl-3H-benzo[b]1,4-thiazepine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:40358-29-0 SDS

40358-29-0Relevant academic research and scientific papers

Synthesis, characterization, crystal structures, and anticancer activity of some new 2,3-dihydro-1,5-benzoxazepines

Odame, Felix,Schoeman, Recardia,Krause, Jason,Hosten, Eric C.,Tshentu, Zenixole R.,Frost, Carminita

supporting information, p. 987 - 1004 (2021/02/16)

Various benzoxazepine derivatives have been synthesized and characterized using IR, NMR, GC–MS, and microanalysis. The single-crystal X-ray structures of 2,2-dimethyl-4-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydro-1,5-benzoxazepine (RS01), 4-[(E)-2-(2-chlo

A simple and efficient method for synthesis of benzothiazepine derivatives

Itabashi, Saori,Lu, Rong,Miyakoshi, Tetsuo

, p. 171 - 177 (2011/04/26)

A series of 1, 5-benzothiazepines were synthesized using disulfides and α, β-unsaturated carbonyl or nitrile compounds as reaction substrates. After reductive cleavage of the S-S bond of disulfides, the resulting thiols were reacted with α,β-unsaturated carbonyl or nitrile compounds to generated seven-membered heterocyclic compounds. In the presence of ammonium thioglycolate, the Michael reaction occurred between disulfides (1) and 4-methyl-3-penten-2-one to give 2, 2, 4-trymethyl-3H-1, 5-benzothiazepine derivatives in good yields. When ethyl acrylate or acrylonitrile was used as the Michael acceptor, 90-99% of (2-amino- phenylsulfanyl)propionitriles (3) and/or 92-99% of (2-amino-phenylsulfanyl) propionic acid ethyl esters (4) were produced. Subsequently, the 1, 5-benzothiazepine compounds 5 and 6 were obtained due to the cyclization reaction. The Japan Institute of Heterocyclic Chemistry.

Process for the ring chlorination of aromatic hydrocarbons

-

, (2008/06/13)

Aromatic hydrocarbons which are monosubstituted by straight-chain or branched C1 -C12 -alkyl or by C3 -C8 -cycloalkyl can be chlorinated in the presence of Friedel-Crafts Catalysts in liquid phase on the aromatic ring if cyclic benzo-fused imines or benzo[f]-1,4-thiazepines are used as co-catalysts. This makes it possible to obtain a higher proportion of p-isomers.

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