41711-38-0

Basic information

• Product Name: Pyridine,3,5-bis(chloromethyl)-(9CI)
• Synonyms: Pyridine,3,5-bis(chloromethyl)-(9CI);PYRIDINE,3,5-BIS(CHLOROMETHYL)-
• CAS NO: 41711-38-0
• Molecular Formula: C₇H₇Cl₂N
• Molecular Weight: 176.045
• Product Categories: PYRIDINE
• Mol File: 41711-38-0.mol

Chemical Properties

• Melting Point: 86-87 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 291.878 °C at 760 mmHg
• Flash Point: 158.065 °C
• Appearance: /
• Density: 1.275 g/cm³
• Refractive Index: 1.548
• Storage Temp.: 2-8°C
• PKA: 3.68±0.20(Predicted)
• CAS DataBase Reference: Pyridine,3,5-bis(chloromethyl)-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Pyridine,3,5-bis(chloromethyl)-(9CI)(41711-38-0)
• EPA Substance Registry System: Pyridine,3,5-bis(chloromethyl)-(9CI)(41711-38-0)

Safety Data

• Hazardous Substances Data: 41711-38-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Pyridine,3,5-bis(chloromethyl)-(9CI) is used as an intermediate in the synthesis of 5'-[(Desloratadine)methyl] Rupatadine (D290270), which is an impurity of the antihistaminic drug Rupatadine (R701650). Its role in the synthesis process is crucial for the development of effective antihistamine medications that can help alleviate allergy symptoms and improve patient outcomes.

InChI:InChI=1/C7H7Cl2N/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H,2-3H2

Upstream product

• 21636-51-1 3,5-bis(hydroxymethyl)pyridine 
• 591-22-0 3,5-Lutidine 
• 4591-55-3 dimethyl pyridine-3,5-dicarboxylate 
• 499-81-0 3,5-Pyridinedicarboxylic acid 
• 4591-56-4 diethyl 3,5-pyridinedicarboxylate 

Downstream Products

• 591-22-0 3,5-Lutidine 
• 443687-17-0 N,N'-ditosyl-2,11-diaza[3.3](3,5)pyridinophane 
• 94413-66-8 (pyridine-3,5-diyl)dimethanamine 

Relevant articles and documents

Synthesis and structural properties of thiapyridinophane and its complex with Ni(II) and Ag(I)

The 2,11-dithia[3.3](3,5)pyrdinophane (L1) has been synthesized by a new method and characterized by 1H NMR, which is used to form coordination complexes C14H14N4O6S2Ni (I) by addition of Ni2+ cation and C14H14N3O3S2Ag (II) by addition of Ag+ cation. 2,11,20-Trithia[3.3.3](3,5)pyridinophane (L2) and 2,11,20,29-tetrathia[3.3.3.3](3,5)pyridinophane (L3) have also been synthesized as by-products. Single-crystal X-ray analysis reveals that the conformation of the L1 is syn(boat-chair), complexes I and II also adopt syn(boat-chair) (CIF files CCDC nos. 1400332 (I) and 700724 (II)). While in I, Ni(II) is coordinated with L1 with two nitrogen and four oxygen atoms, in II, Ag(I) is coordinated with L1 by two nitrogen and two sulfur atoms came from four ligands. In complexes I and II, the formation of three-dimensional structure depends on π???π stacking and hydrogen bonds.

Synthesis and linear and nonlinear absorption properties of dendronised ruthenium(ii) phthalocyanine and naphthalocyanine

Ruthenium phthalocyanines and naphthalocyanines with axial dendronised pyridine ligands show high solubility in a variety of solvents, and exhibit solid-state absorption spectra that are comparable to those obtained in dilute solution, making them interesting candidates for optical limiting in the visible.

Synthesis of multilayered [3.3](3,5)pyridinophanes

Two- to four-layered [3.3](3,5)pyridinophanes (PyPs) have been synthesized by the (4-tolylsulfonyl)methyl isocyanide (TosMIC) method. The coupling reaction between 3,5-bis[2-iso-cyano-2-(4-tolylsulfonyl)ethyl]pyridine (TosMIC adduct) and bis(chloromethyl) or tetrakis(bromomethyl) compounds in the presence of sodium hydride in N,N-dimethylformamide or sodium hydroxide and tetrabutylammonium iodide under high-dilution conditions gave the two-layered dione or three- and four-layered tetraones. Wolff-Kishner reduction of the ketones afforded the desired two- to four-layered [3.3](3,5)PyPs. The structure of the dione units take an anti geometry whereas the cyclophane units take a syn geometry in solution. Georg Thieme Verlag Stuttgart.

Self-assembled coordination cage derived from small-sized pyridinophane

The dithia[3.3]pyridinophane consisting of two pyridine rings has been found out to assume the syn-structure by the X-ray crystallography, meaning the two nitrogen atoms point in the same direction. From this cyclophane and cis-protected palladium(II), the self-assembled coordination molecular cage has been constructed.

Synthesis and structural analysis of 2,11-diaza[3.3](3,5)pyridinophane

A possible bidentate receptor with two kinds of nitrogen atoms, 2,11-diaza[3.3](3,5)pyridinophane 1, was synthesized. A VT 1H NMR study and ab initio MO calculations indicated that the two conformers of 1, boat-boat and chair-boat, have almost

Coordination behaviour of the new multidentate ligand 3,5-bis(dimethyl-aminomethyl)pyridine with palladium(II) and platinum(II) metal centres

The synthesis of the new potentially tridentate ligand 3,5-bis(dimethylaminomethyl)pyridine (3) is described. Coordination chemistry of this ligand has been investigated with PdII and PtII precursor compounds. Both a bidentate bridging bonding motif and a monodentate bonding mode is observed. The latter compounds incorporate 3 by coordination through the pyridinic N atom only. The former complexes contain ligand 3 bonded to 2 metal centres by bridging through coordination of one trialkyl N donor atom and the pyridinic N atom. The solid-state structure of a ligand bridged Pd dimer has been elucidated by single-crystal X-ray diffraction and corroborates with the solid-state IR data that suggested a trans-PdCl2 unit was present.