850375-09-6

Basic information

• Product Name: TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
• Synonyms: TERT-BUTYL 4-(3-IODOBENZYL)PIPERAZIN-1-CARBOXYLATE;TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;4-(3-IODOBENZYL)PIPERAZINE, N1-BOC PROTECTED;4-(3-Iodobenzyl)piperazine,N1-BOCprotected97%
• CAS NO: 850375-09-6
• Molecular Formula: C₁₆H₂₃IN₂O₂
• Molecular Weight: 402.27
• Mol File: 850375-09-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 425.6°C at 760 mmHg
• Flash Point: 211.2°C
• Appearance: /
• Density: 1.456g/cm³
• Vapor Pressure: 1.88E-07mmHg at 25°C
• Refractive Index: 1.584
• CAS DataBase Reference: TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE(850375-09-6)
• EPA Substance Registry System: TERT-BUTYL 4-(3-IODOBENZYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE(850375-09-6)

Safety Data

• Hazard Codes: C
• Hazardous Substances Data: 850375-09-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H23IN2O2/c1-16(2,3)21-15(20)19-9-7-18(8-10-19)12-13-5-4-6-14(17)11-13/h4-6,11H,7-10,12H2,1-3H3

Upstream product

• 57260-71-6 1-t-Butoxycarbonylpiperazine 

Downstream Products

• 523981-00-2 1-(3-iodo-benzyl)-piperazine 
• 1295647-22-1 4-[3-[(6R,12aR)-6-benzo[1,3]dioxol-5-yl-1,4-dioxo-3,4,6,7,12,12a-hexahydro-1H-pyrazino[1',2':1,6]pyrido[3,4-b]indol-2-yl]benzyl]piperazine-1-carboxylic acid tert-butyl ester 
• 77278-55-8 tert-Butyl 4-(3-trifluoromethylbenzyl)piperazine-1-carboxylate 

Relevant articles and documents

Synthesis and receptor binding studies of novel 4,4-disubstituted arylalkyl/arylalkylsulfonyl piperazine and piperidine-based derivatives as a new class of σ1 ligands

This study presents the synthesis and biological evaluation of a new series of arylalkyl/arylalkylsulfonyl piperazine and piperidine-based derivatives as sigma receptor ligands. It was found that a number of halogen substituted sulfonamides display relatively high and low affinities to σ1 and σ2 receptors, respectively. The σ1 affinities and subtype selectivities of four piperidine derivatives were also found to be generally comparable to those of piperazine analogues. Compared to σ1-Rs compounds with n = 0 and 2, those with n = 1 proved to have optimal length of carbon chain by exhibiting higher affinities. Within this series, the 4-benzyl-1-(3-iodobenzylsulfonyl)piperidine sigma ligand was identified with 96-fold σ1/σ2 selectivity ratio (Kiσ1 = 0.96 ± 0.05 nM and K iσ2 = 91.8 ± 8.1 nM).