40987-25-5

Basic information

• Product Name: 4-BENZYL-2-(CHLOROMETHYL)MORPHOLINE
• Synonyms: 4-BENZYL-2-(CHLOROMETHYL)MORPHOLINE;2-CHLOROMETHYL-4-BENZYLMORPHOLINE;BUTTPARK 85\12-31;Morpholine, 2-(chloroMethyl)-4-(phenylMethyl)-;2-(ChloroMethyl)-4-(phenylMethyl)Morpholine;N-Benzyl-2-(chloromethyl)morpholine HCl
• CAS NO: 40987-25-5
• Molecular Formula: C₁₂H₁₆ClNO
• Molecular Weight: 225.71
• Product Categories: pharmacetical
• Mol File: 40987-25-5.mol
• Article Data: 13

Chemical Properties

• Melting Point: 46 °C
• Boiling Point: 120-122°C 1mm
• Flash Point: 144.084 °C
• Appearance: /
• Density: 1.132 g/cm³
• Vapor Pressure: 0.00046mmHg at 25°C
• Storage Temp.: 2-8°C
• PKA: 6.09±0.10(Predicted)
• CAS DataBase Reference: 4-BENZYL-2-(CHLOROMETHYL)MORPHOLINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BENZYL-2-(CHLOROMETHYL)MORPHOLINE(40987-25-5)
• EPA Substance Registry System: 4-BENZYL-2-(CHLOROMETHYL)MORPHOLINE(40987-25-5)

Safety Data

• Hazard Codes: C
• Statements: 36/37/38-34-36
• Safety Statements: 26-36/37/39-45
• HazardClass: IRRITANT
• Hazardous Substances Data: 40987-25-5(Hazardous Substances Data)

Usage

General Description

4-Benzyl-2-(Chloromethyl)morpholine is a chemical compound which is primarily used in research and development stages in the field of pharmaceuticals. This chemical belongs to the morpholine family, in which morpholine is a heterocyclic organic compound that contains a six-membered ring with a mixture of four carbon atoms, one nitrogen atom, and one oxygen atom. The specifics of the 4-Benzyl-2-(Chloromethyl)morpholine structure include a benzyl and chloromethyl group, thus giving it different characteristics and functionalities. Details regarding its safety, toxicity, and environmental impacts are usually provided by its respective Material Safety Data Sheet (MSDS).

InChI:InChI=1/C12H16ClNO/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2/p+1/t12-/m1/s1

Upstream product

• 174560-84-0 1-chloro-3-[(2-hydroxyethyl)(phenylmethyl)amino]-2-propanol 
• 104-63-2 N-Benzylethanolamine 
• 106-89-8 epichlorohydrin 
• 100-52-7 benzaldehyde 

Downstream Products

• 110859-48-8 N-[(4-benzyl-2-morpholinyl)methyl]phthalimide 
• 57962-45-5 (4-benzylmorpholin-2-yl)acetonitrile 
• 40987-24-4 R,S-2-hydroxymethyl-4-benzylmorpholine 
• 112913-97-0 2-(azidomethyl)-4-benzylmorpholine 
• 47374-79-8 (+/-)-4-benzyl-2-(2-ethoxyphenoxymethyl)morpholine 
• 46817-91-8 viloxazine 
• 112913-96-9 2-(N-acetylaminomethyl)-4-benzylmorpholine 
• 110859-47-7 (4-benzylmorpholin-2-yl)methanamine 
• 112913-95-8 2-(N-acetylaminomethyl)morpholine 
• 1025966-67-9 2-[(Benzyl-methyl-amino)-methyl]-morpholine-4-carbaldehyde 
• 122910-81-0 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-[2-(methylaminomethyl)morpholino]-4-oxoquinoline-3-carboxylic acid 
• 40987-53-9 4-benzyl-2-(toluene-p-sulphonyloxymethyl)morpholine 
• 126645-73-6 4-benzyl-2-(3-hydroxypropyl)morpholine 
• 112887-23-7 4-Amino-N-(4-benzyl-morpholin-2-ylmethyl)-2-methoxy-benzamide 

Relevant articles and documents

Synthesis and Initial Characterization of a Selective, Pseudo-irreversible Inhibitor of Human Butyrylcholinesterase as PET Tracer

The enzyme butyrylcholinesterase (BChE) represents a promising target for imaging probes to potentially enable early diagnosis of neurodegenerative diseases like Alzheimer's disease (AD) and to monitor disease progression in some forms of cancer. In this study, we present the design, facile synthesis, in vitro and preliminary ex vivo and in vivo evaluation of a morpholine-based, selective inhibitor of human BChE as a positron emission tomography (PET) tracer with a pseudo-irreversible binding mode. We demonstrate a novel protecting group strategy for 18F radiolabeling of carbamate precursors and show that the inhibitory potency as well as kinetic properties of our unlabeled reference compound were retained in comparison to the parent compound. In particular, the prolonged duration of enzyme inhibition of such a morpholinocarbamate motivated us to design a PET tracer, possibly enabling a precise mapping of BChE distribution.

Fast and efficient 18F-labeling by [18F]fluorophenylazocarboxylic esters

Introduction of [18F]fluoride ion into the aromatic core of phenylazocarboxylic esters was achieved in only 30 seconds, with radiochemical yields of up to 95% (85(±10) %). For labeling purposes, the resulting 18F-substituted azoester can be further converted in radical-arylation reactions to give biaryls, or in substitutions at its carbonyl unit to produce azocarboxamides.

A COMPOUND FOR INHIBITING HUMAN 11-β-HYDROXY STEROID DEHYDROGENASE TYPE 1, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME

The present invention relates to a novel compound, or a stereoisomer, or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition for human-11-beta-hydroxysteroid dehydrogenase type 1 (11β-HSD1) comprising the same. The invention provides a compound, which has excellent activity and solubility and is more efficiently formulated and delivered, and a pharmaceutical composition for human-11-beta-hydroxysteroid dehydrogenase type 1 comprising the same.