2567-50-2

Basic information

• Product Name: 2-Chloro-N,N-dicyclohexyl-acetamide
• Synonyms: 2-Chloro-N,N-dicyclohexyl-acetamide;2-chloro-N,N-dicyclohexyl-ethanamide;ALD-N036447;NSC8314
• CAS NO: 2567-50-2
• Molecular Formula: C₁₄H₂₄ClNO
• Molecular Weight: 257.81
• Mol File: 2567-50-2.mol
• Article Data: 9

Chemical Properties

• Melting Point: 114-115 °C
• Boiling Point: 377.2 °C at 760 mmHg
• Flash Point: 181.9 °C
• Appearance: /
• Density: 1.08 g/cm³
• Vapor Pressure: 6.88E-06mmHg at 25°C
• Refractive Index: 1.512
• PKA: -1.12±0.20(Predicted)
• CAS DataBase Reference: 2-Chloro-N,N-dicyclohexyl-acetamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-N,N-dicyclohexyl-acetamide(2567-50-2)
• EPA Substance Registry System: 2-Chloro-N,N-dicyclohexyl-acetamide(2567-50-2)

Safety Data

• Hazardous Substances Data: 2567-50-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H24ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2

Upstream product

• 4015-58-1 monochloroacetic acid anhydride 
• 101-83-7 N-cyclohexyl-cyclohexanamine 
• 79-04-9 chloroacetyl chloride 

Downstream Products

• 126291-00-7 N,N,N',N'-tetrakis-(cyclohexyl)-4-formyl-1,2-phenylenedioxydiacetamide 
• 116482-79-2 aspirin N,N-dicyclohexylglycolamide ester 
• 126291-01-8 N,N,N',N'-tetrakis-(cyclohexyl)-4-hydroxymethyl-1,2-phenylenedioxydiacetamide 
• 126290-99-1 bis-(N,N,N',N'-tetrakis-(cyclohexyl)-4-methylene-1,2-phenylenedioxydiacetamido)-1,4-phthalate 
• 1093977-23-1 N,N-dicyclohexyl-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide 
• 1093981-69-1 2-azido-N,N-dicyclohexylacetamide 
• 1491137-19-9 tert-butyl ({1-[2-(dicyclohexylamino)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methyl)carbamate 
• 1491137-33-7 2-(4-{[(7-chloroquinolin-4-yl)amino]methyl}-1H-1,2,3-triazol-1-yl)-N,N-dicyclohexylacetamide 
• 1491137-40-6 2-(4-{[(7-cyanoquinolin-4-yl)amino]methyl}-1H-1,2,3-triazol-1-yl)-N,N-dicyclohexylacetamide 
• 1491271-17-0 C₁₇H₂₉N₅O 

Relevant articles and documents

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Design, Synthesis, and Structure-Activity Relationship Studies of Novel Indolyalkylpiperazine Derivatives as Selective 5-HT1A Receptor Agonists

5-HT1A receptor (5-HT1AR) agonists have been implicated in the treatment of a variety of central nervous system (CNS) diseases such as depression and anxiety, et al. Based on our previously found compound FW01 (Ki = 51 ± 16 nM) obtained by virtual screening, a series of FW01 derivatives were designed and synthesized by the modification of the amide tail group as well as indole headgroup of FW01. SAR exploration found that amide tail group and indole headgroup play pivotal roles in determining the binding affinity and selectivity on dopamine and serotonin receptor subtypes. Among all tested compounds, 9_24 has a Ki value of 5 ± 0.6 nM with a good selectivity toward 5-HT1AR. The [35S] GTPγS assay showed that 9_24 is a full agonist toward 5-HT1AR with an EC50 value of 0.059 nM, which shows 266.2 and 146.4-fold selectivity to 5-HT2A and D3 respectively. Molecular dynamics simulations and molecular docking studies with 5-HT1AR-9_24 were performed to disclose the mechanism of its high activity and selectivity. Finally, a detailed stepwise 9_24 induced signal transduction mechanism of 5-HT1AR is proposed.

New Cyclohexylamine-Dithiocarbamate derivatives as potential anti-microbial agents

In this study, 2-(substituted-sulfanyl)-N,N-dicyclohexylacetamide derivatives (2a-2g) and 2-(dicyclohexylamino)-2-oxoethyl-1-substituted carbodithioate derivatives (2h-2m) were synthesized and screened for their antimicrobial activity. Methods: Newly synthesized compounds were screened against two gram negative bacteria (S. typhimurium and E.coli), three gram positive bacteria (S. aureus, B. cereus and L. monocytogenes), four Candida species, four Aspergillus spp. and three Penicillium spp. Among them (2a-2m), compounds 2i (2-(dicyclohexylamino)-2-oxoethyl-thiomorpholine-4-carbodithioate) and 2k (2-(dicyclohexylamino)-2-oxoethyl-4-(4-methoxyphenyl)piperazine-1-carbodithioate) were detected to have higher inhibitory effect than other compounds. Results and Conclusion: Minumum inhibitor concentrations (MICs) of the compounds were determined between the range of 97.5-390 ìg/mL. Additionally, parameters determined that some physicochemical and toxic properties were predicted using computational methods.