2848-94-4

Basic information

• Product Name: N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-methylacetamide
• Synonyms: N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-methylacetamide;2-(2-Bromoacetamido)-5-chloro-N-methylbenzophenone
• CAS NO: 2848-94-4
• Molecular Formula: C₁₆H₁₃BrClNO₂
• Molecular Weight: 366.63692
• EINECS: 220-652-1
• Mol File: 2848-94-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 520°C at 760 mmHg
• Flash Point: 268.3°C
• Appearance: /
• Density: 1.5g/cm³
• Vapor Pressure: 6.51E-11mmHg at 25°C
• Refractive Index: 1.636
• CAS DataBase Reference: N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-methylacetamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-methylacetamide(2848-94-4)
• EPA Substance Registry System: N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-methylacetamide(2848-94-4)

Safety Data

• Hazardous Substances Data: 2848-94-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H13BrClNO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3

Upstream product

• 22118-09-8 2-bromoacetyl chloride 
• 1022-13-5 5-chloro-2-(methylamino)benzophenone 

Downstream Products

• 37393-81-0 6-chloro-3,4-epoxy-1-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one 
• 439-14-5 diazepam 

Relevant articles and documents

Multistep Flow Synthesis of Diazepam Guided by Droplet-Accelerated Reaction Screening with Mechanistic Insights from Rapid Mass Spectrometry Analysis

Electrospray and Leidenfrost droplet accelerated reactions were used as a predictive tool for estimating the outcome of microfluidic synthesis as demonstrated by Wleklinski et al. Rapid analysis by electrospray-mass spectrometry (ESI-MS) also provided immediate feedback on reaction outcomes in flow reactions. Significant reaction acceleration was observed in electrospray relative to the corresponding bulk reaction. This rapid reaction screening and analysis method has allowed for the detection of previously unreported outcomes in the reaction between 5-chloro-2-(methylamino)benzophenone and haloacetyl chloride (halo = Cl or Br) in the continuous synthesis of diazepam. In our current study, a more detailed extension of the previous work, we report acceleration factors that are solvent dependent; additional byproducts that were observed on the microfluidic scale that were absent in the droplet reactions. Gaining insight from this combined droplet and microfluidic screening/rapid ESI-MS analysis approach, we have helped guide the synthesis of diazepam and showcased the potential of this method as a reaction optimization and discovery tool. Informed by these new insights, diazepam was synthesized in a high-yield two-step continuous flow process.