111188-70-6 Usage
Chemical structure
The compound has a complex structure that includes a benzothiazepine ring and an acetyloxy group.
Functional groups
It contains a dimethylaminoethyl and a methoxyphenyl moiety.
Stereochemistry
The compound has a trans configuration at the 2S position.
Potential applications
It exhibits potential pharmaceutical properties and may be used in drug development or research.
Target areas
The compound may be relevant for cardiovascular or neurological disorders.
Molecular weight
The molecular weight of the compound is approximately 412.5 g/mol.
Solubility
The solubility of the compound may vary depending on the solvent used, but it is likely to be more soluble in organic solvents like methanol or dimethyl sulfoxide (DMSO) than in water.
Stability
The stability of the compound may depend on factors such as temperature, light exposure, and the presence of other reactive substances. It is generally recommended to store the compound in a cool, dry, and dark place.
Synthesis
The synthesis of this compound may involve multiple steps, including the formation of the benzothiazepine ring, introduction of the acetyloxy group, and attachment of the dimethylaminoethyl and methoxyphenyl moieties.
Analytical techniques
Techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and infrared (IR) spectroscopy can be used to analyze and confirm the structure of the compound.
Purity
The purity of the compound can be assessed using various analytical methods, including high-performance liquid chromatography (HPLC) and thin-layer chromatography (TLC).
Safety precautions
As with any chemical compound, it is essential to follow proper safety protocols when handling, storing, and disposing of 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-trans)-. This may include wearing appropriate personal protective equipment (PPE) and using proper containment and disposal methods.
Check Digit Verification of cas no
The CAS Registry Mumber 111188-70-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,1,1,8 and 8 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 111188-70:
(8*1)+(7*1)+(6*1)+(5*1)+(4*8)+(3*8)+(2*7)+(1*0)=96
96 % 10 = 6
So 111188-70-6 is a valid CAS Registry Number.
111188-70-6Relevant articles and documents
Stereoselective addition of 2-aminothiophenol to α-alkoxycinnamic acid derivatives - Alternative synthesis of (±)-diltiazem
Miyata, Okiko,Shinada, Tetsuro,Naito, Takeaki,Ninomiya, Ichiya,Date, Tadamasa,Okamura, Kimio
, p. 8119 - 8128 (2007/10/02)
A stereocontrolled synthesis of (±)-diltiazem by applying nucleophilic addition of 2-aminothiophenol to α-alkoxycinnamic acid derivatives is described.
Synthesis of the optically active trans-isomers of diltiazem and their cardiovascular effects and Ca-antagonistic activity
Tanaka,Inoue,Date,Okamura,Aoe,Takeda,Kugita,Murata,Yamaguchi,Kikkawa,Nakajima,Nagao
, p. 1476 - 1480 (2007/10/02)
Optically active trans-isomers of diltiazem were synthesized and their cardiovascular effects were evaluated in anesthetized dogs and in isolated guinea pig hearts. Both (+)-2 (2R,3S) and (-)-2 (2S,3R) were much less active than diltiazem (1, 2S,3S) with