76141-89-4

Basic information

• Product Name: 1-(4-FLUOROBENZYL)-1,4-DIAZEPANE
• Synonyms: BUTTPARK 30\08-31;CHEMBRDG-BB 4004622;1-(4-FLUOROBENZYL)HOMOPIPERAZINE;1-(4-FLUOROBENZYL)-1,4-DIAZEPANE;1-(4-Fluorobenzyl)homopiperazine 97%;1-(4-Fluorobenzyl)homopiperazine97%;1-(4-fluorobenzyl)-1,4-diazepane(SALTDATA: 2HCl H2O)
• CAS NO: 76141-89-4
• Molecular Formula: C12H17FN2
• Molecular Weight: 208.28
• Mol File: 76141-89-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: 208-209°C
• Boiling Point: 112 °C
• Flash Point: 130.2 °C
• Appearance: /
• Density: 1.074 g/cm³
• Vapor Pressure: 0.00192mmHg at 25°C
• Refractive Index: 1.522
• PKA: 10.55±0.20(Predicted)
• CAS DataBase Reference: 1-(4-FLUOROBENZYL)-1,4-DIAZEPANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-FLUOROBENZYL)-1,4-DIAZEPANE(76141-89-4)
• EPA Substance Registry System: 1-(4-FLUOROBENZYL)-1,4-DIAZEPANE(76141-89-4)

Safety Data

• Hazard Codes: C,Xn
• Statements: 36/37/38-52-22-34
• Safety Statements: 26-36/37/39-45
• RIDADR: 2735
• HazardClass: 8
• Hazardous Substances Data: 76141-89-4(Hazardous Substances Data)

Usage

Chemical Properties

Colorless liquid

InChI:InChI=1/C12H17FN2/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15/h2-5,14H,1,6-10H2

Upstream product

• 1190967-30-6 tert-butyl 4-(4-fluorobenzyl)-1,4-diazepane-1-carboxylate 
• 505-66-8 1,4-Diazacycloheptane 
• 459-57-4 4-fluorobenzaldehyde 

Relevant articles and documents

Design, synthesis, and biological evaluation of novel 2-methylpiperazine derivatives as potent CCR5 antagonists

Three series of novel 2-methylpiperazine derivatives were designed and synthesized using a fragment-assembly strategy. Among them, six compounds (13, 16, 18, 22, 33, and 36) showed potent activity against CCR5 comparable to that of the positive control, maraviroc, in calcium mobilization assay. Moreover, some compounds were selected and further tested for their antiviral activity in HIV-1 single cycle assay. As a result, four compounds (13, 16, 33, and 36) showed antiviral activity at the nanomolar level. Additionally, the potent four compounds showed no cytotoxicity at a concentration of 10 μM.