530098-49-8

Basic information

• Product Name: 1H-1,4-Diazepine-1-aceticacid,4-ethylhexahydro-,methylester(9CI)
• Synonyms: 1H-1,4-Diazepine-1-aceticacid,4-ethylhexahydro-,methylester(9CI)
• CAS NO: 530098-49-8
• Molecular Formula: C₁₀H₂₀N₂O₂
• Molecular Weight: 200.28
• Product Categories: ETHYL
• Mol File: 530098-49-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 265.2±30.0 °C(Predicted)
• Appearance: /
• Density: 0.994±0.06 g/cm3(Predicted)
• PKA: 9.01±0.10(Predicted)
• CAS DataBase Reference: 1H-1,4-Diazepine-1-aceticacid,4-ethylhexahydro-,methylester(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1,4-Diazepine-1-aceticacid,4-ethylhexahydro-,methylester(9CI)(530098-49-8)
• EPA Substance Registry System: 1H-1,4-Diazepine-1-aceticacid,4-ethylhexahydro-,methylester(9CI)(530098-49-8)

Safety Data

• Hazardous Substances Data: 530098-49-8(Hazardous Substances Data)

Upstream product

• 96-34-4 methyl chloroacetate 
• 3619-73-6 1-ethyl-1,4-homopiperazine 

Downstream Products

• 815-28-1 perfluoro(dimethylethylamine) 
• 338-81-8 heptafluoropropyl-bis-pentafluoroethyl-amine 
• 107835-86-9 perfluoro (N-methyl-N-ethyl-n-propylamine) 

Relevant articles and documents

Simons electrochemical fluorination of substituted homopiperazines(hexahydro-1,4-diazepines) and piperazines

Simons electrochemical fluorination (ECF) of 1,4-dimethyl-1,4-homopiperazine, methyl 4-ethylhomopiperazin-1-ylacetate and 1,4-bis(methoxycarbonylmethyl)-1,4-homopiperazine was studied. For comparison, ECF of three piperazines with a N-(methoxycarbonylmethyl) group(s) was also studied. ECF of 1,4-dimethyl-1,4-homopiperazine gave a low yield of corresponding perfluoro(1,4-dimethyl-1,4-homopiperazine) together with perfluoro(2,6-diaza-2,6-dimethylheptane) as the major product. Corresponding perfluoro(homopiperazines) with mono- and/or di-(fluorocarbonyldifluoromethyl) groups [-CF2C(O)F] at the 1- and/or 4-position were formed in low yields from methyl 4-ethylhomopiperazin-1-ylacetate and 1,4-bis(methoxycarbonylmethyl)-1,4-homopiperazine, respectively. These new seven-membered perfluoro(1,4-dialkyl-1,4-homopiperazines) were accompanied by the formation of mono- and/or di-basic linear perfluoroacid fluorides resulting from the C-C bond scission at the 2- and 3-positions of the ring. From mono- and/or di-N-(methoxycarbonylmethyl)-substituted piperazines, corresponding perfluoropeperazines having the acid fluoride group(s) were formed in low yields.