62078-98-2

Basic information

• Product Name: DSP 4
• Synonyms: Benzenemethanamine, 2-bromo-N-(2-chloroethyl)-N-ethyl-, hydrochloride (1:1); N-(2-Bromobenzyl)-2-chloro-N-ethylethanamine hydrochloride (1:1)
• CAS NO: 62078-98-2
• Molecular Formula: C₁₁H₁₅BrClN
• Molecular Weight: 276.603
• Mol File: 62078-98-2.mol

Chemical Properties

• Boiling Point: 276.7°C at 760 mmHg
• Flash Point: 121.1°C
• Appearance: /
• Vapor Pressure: 0.00473mmHg at 25°C
• CAS DataBase Reference: DSP 4(CAS DataBase Reference)
• NIST Chemistry Reference: DSP 4(62078-98-2)
• EPA Substance Registry System: DSP 4(62078-98-2)

Safety Data

• Hazardous Substances Data: 62078-98-2(Hazardous Substances Data)

Usage

Hazard

A poison.

InChI:InChI=1/C11H15BrClN.ClH/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12;/h3-6H,2,7-9H2,1H3;1H

Upstream product

• 3433-80-5 1-Bromo-2-bromomethyl-benzene 
• 69496-65-7 N-(2-hydroxyethyl)-N-ethyl-2-bromobenzylamine 

Relevant articles and documents

Radioiodinated analogs of xylamine: N-(2-chloroethyl)-N-ethyl-2-[125I]iodobenzylamine and N,N-diethyl-2-[125I)iodo benzylamine as potential tools for monoamine uptake exploration by SPECT

In order to improve the scintigraphy and radiotherapy of neuroendocrine tumors we synthesized two radioiodinated benzylamines [N-(2-chloroethyl)-N-ethyl-2-[125I]iodobenzylamine and N,N-diethyl-2-[125I]iodobenzylamine], analogs of xylamine [N-(2-chloroethyl)-N-ethyl-2-methylbenzylamine]. Xylamine is an irreversible inhibitor of uptake and accumulation of noradrenaline. The two unlabelled iodinated derivatives [N-(2-chloroethyl)-N-ethyl-2-iodobenzylamine and N,N-diethyl-2-iodobenzylamine] were synthesized, purified and checked by HPLC, NMR and mass spectrography. Their affinity for the noradrenaline transporter was determined in vitro on rat brain membrane homogenates with [3H]nisoxetine. Radioiodination was performed by iodide for bromide nucleophilic exchange from brominated precursors. The N,N-diethyl-2-[125I]iodobenzylamine was obtained directly from N,N-diethyl-2-bromobenzylamine. Radiosynthesis of N-(2-chloroethyl)-Nethyl-2-[125I]iodobenzylamine required three steps. A new brominated precursor [N-ethyl-N-(2-bromobenzyl)glycine ethyl ester] which was stable for radiolabelling and suitable for reduction to N-(2-hydroxyethyl)-N-ethyl-2-[125I]iodobenzylamine was synthesized. N-(2-Hydroxyethyl)-N-ethyl-2-[125I]iodobenzylamine was converted to N-(2-chloroethyl)-N-ethyl-2-[125I]iodobenzylamine in the presence of an excess of thionyl chloride. Radioiodinated derivatives were purified and checked by HPLC.