1-[(4-Nitrophenyl)methyl]pyridin-1-ium chloride

Base Information

• Chemical Name: 1-[(4-Nitrophenyl)methyl]pyridin-1-ium chloride
• CAS No.: 4329-72-0
• Molecular Formula: C12H11N2O2+
• Molecular Weight: 250.685
• DSSTox Substance ID: DTXSID40500413
• NSC Number: 56894
• Mol file: 4329-72-0.mol

Synonyms:4329-72-0;1-[(4-Nitrophenyl)methyl]pyridin-1-ium chloride;1-(4-NITROBENZYL)PYRIDINIUM CHLORIDE;SCHEMBL11134565;DTXSID40500413;NSC56894;NSC-56894;AKOS024333309;1-(4-Nitrobenzyl)pyridin-1-ium chloride;1-[(4-nitrophenyl)methyl]pyridin-1-ium;chloride

Chemical Property of 1-[(4-Nitrophenyl)methyl]pyridin-1-ium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.0509053
• Heavy Atom Count: 17
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=[N+](C=C1)CC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Technology Process of 1-[(4-Nitrophenyl)methyl]pyridin-1-ium chloride

There total 1 articles about 1-[(4-Nitrophenyl)methyl]pyridin-1-ium chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

pyridine (110-86-1) + 4-nitrobenzyl chloride (100-14-1) → 1-(4'-nitrobenzyl)pyridinium chloride (4329-72-0)

Guidance literature:

Ambient temperature;

DOI:10.1016/0022-2860(93)07862-Q

Reference yield: 90.0%

1-(4'-nitrobenzyl)pyridinium chloride (4329-72-0) + lithium 7,7,8,8-tetracyanoquinodimethane (34507-61-4,1283-90-5) → C12H11N2O2(1+)*C12H4N4(1-)

Guidance literature:

In methanol; Heating;

DOI:10.1016/j.molstruc.2005.02.021

Reference yield: 87.0%

copper(II) choride dihydrate + 1-(4'-nitrobenzyl)pyridinium chloride (4329-72-0) + disodium cis-1,2-dicyano-1,2-ethylenedithiolate (5466-54-6) → 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)cuprate(II)

Guidance literature:

In methanol; soln. of Na-salt in CH3OH mixed with soln. of CuCl2*2H2O in CH3OH, stirred at room temp. for 0.5 h, filtered, soln. of pyridinium salt in CH3OH added to the filtrate; ppt. filtered off, washed with methanol, dried under vac., crystd. by slow diffusion of diethyl ether into CH3CN soln.; elem. anal.;

DOI:10.1039/b210314a

upstream raw materials:

pyridine

4-nitrobenzyl chloride

Downstream raw materials:

4-nitrobenzaldehdye

4,4'-diformylazoxybenzene

4-nitro-benzoic acid

Refernces

• 1、 Flanigan, Paul M.,Shi, Fengjian,Perez, Johnny J.,Karki, Santosh,Pfeiffer, Conrad,Schafmeister, Christian,Levis, Robert J.. "Determination of internal energy distributions of laser electrospray mass spectrometry using thermometer ions and other biomolecules". . p. 1572 - 1582. Retrieved 2014/08/18.
• 2、 Bolduc, Philippe,Jacques, Alexandre,Collins, Shawn K.. "Efficient macrocyclization achieved via conformational control using intermolecular noncovalent π-cation/arene interactions". supporting information; experimental part. p. 12790 - 12791. Retrieved 2010/11/04.