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
• Article Data: 6

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

3,5-Bis(chloromethyl)pyridine is an intermediate for the synthesis of 5’-[(Desloratadine)methyl] Rupatadine (D290270), which is an impurity of the antihistaminic drug Rupatadine (R701650).

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 
• 4591-56-4 diethyl 3,5-pyridinedicarboxylate 
• 499-81-0 3,5-Pyridinedicarboxylic acid 
• 4591-55-3 dimethyl pyridine-3,5-dicarboxylate 

Downstream Products

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

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 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.

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