112376-91-7 Usage
Chemical class
Azepanes, which are heteroatomic analogs of azepanes
Structure
A 7-membered ring with a nitrogen atom and a benzene ring with a chloro substituent attached to the nitrogen atom
Application
Used in organic synthesis as a building block and in pharmaceutical research for the development of potential drugs
Versatility
Structural features make it suitable for applications in medicinal chemistry and material science
Functional groups
Nitrogen-containing 7-membered ring (azepane), benzene ring, chloro substituent
Molecular weight
Approximately 241.76 g/mol
Physical state
Likely a solid at room temperature, based on its molecular weight and structure
Solubility
Soluble in organic solvents, such as dichloromethane, ethyl acetate, and acetone, due to its nonpolar nature and the presence of aromatic rings
Stability
Relatively stable under normal conditions, but sensitive to strong acids, bases, or nucleophiles that could potentially react with the nitrogen atom or the chloro substituent
Reactivity
Can undergo reactions such as electrophilic aromatic substitution, nucleophilic substitution, and addition reactions, depending on the specific reagents and conditions used
Hazards
Potential irritant or toxic, depending on its concentration and exposure route; proper handling and safety precautions should be taken during synthesis and use
Storage
Should be stored in a cool, dry, and well-ventilated area, away from heat, sparks, and open flames, in a sealed container to prevent degradation or contamination
Disposal
Dispose of according to local regulations and guidelines for hazardous chemicals, ensuring proper containment and treatment methods are used to minimize environmental impact
Check Digit Verification of cas no
The CAS Registry Mumber 112376-91-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,3,7 and 6 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 112376-91:
(8*1)+(7*1)+(6*2)+(5*3)+(4*7)+(3*6)+(2*9)+(1*1)=107
107 % 10 = 7
So 112376-91-7 is a valid CAS Registry Number.
112376-91-7Relevant academic research and scientific papers
Iron-Catalysed Reductive Amination of Carbonyl Derivatives with Ω-Amino Fatty Acids to Access Cyclic Amines
Wei, Duo,Netkaew, Chakkrit,Carré, Victor,Darcel, Christophe
, p. 3008 - 3012 (2019/05/15)
An efficient method for the reductive amination of carbonyl derivatives with ω-amino fatty acids catalysed by an iron complex Fe(CO)4(IMes) [IMes=1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene] by means of hydrosilylation was developed. A variety of pyrrolidines, piperidines and azepanes were selectively synthesised in moderate-to-excellent yields (36 examples, 47–97 % isolated yield) with a good functional group tolerance.
Direct β-C(sp3)-H Functionalization of Aliphatic Amines to α,β-Unsaturated Imines, Aldehydes, and Chromenes
Mandal, Sumana,Mahato, Sujit,Jana, Chandan K.
supporting information, p. 3762 - 3765 (2015/08/18)
A metal-free method for direct β-C(sp3)-H functionalization of aliphatic amine was developed. The method is based on a reaction that yields enamine directly from the corresponding aliphatic amine, which otherwise requires the aid of metallic reagent and/or external oxidant. The reaction is operationally simple, general, and highly efficient in functionalizing both cyclic and acyclic amines. Structurally diverse unsaturated imines were obtained from N-heterocycles, while acyclic amines provided 2-alkyl cinnamaldehyde and benzopyran derivatives with excellent E/Z-selectivity.
