4,4'-Trimethylenedipyridine

Base Information

• Chemical Name: 4,4'-Trimethylenedipyridine
• CAS No.: 17252-51-6
• Deprecated CAS: 862010-21-7
• Molecular Formula: C13H14N2
• Molecular Weight: 198.268
• Hs Code.: 29333990
• European Community (EC) Number: 241-284-8
• NSC Number: 42785
• UNII: 46E636572H
• DSSTox Substance ID: DTXSID6044852
• Nikkaji Number: J69.938A
• Wikidata: Q27258929
• ChEMBL ID: CHEMBL1865417
• Mol file: 17252-51-6.mol

Synonyms:4,4-trimethylenedipyridine;tmdp cpd;1,3-bis(4-pyridyl)propane

Chemical Property of 4,4'-Trimethylenedipyridine

Chemical Property:

• Melting Point: 57-60 °C(lit.)
• Boiling Point: 338.7 °C at 760 mmHg
• PKA: 6.30±0.10(Predicted)
• Flash Point: 128.2 °C
• PSA: 25.78000
• Density: 1.066 g/cm³
• LogP: 2.65190
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Water Solubility.: Slightly soluble in water
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.115698455
• Heavy Atom Count: 15
• Complexity: 140

Purity/Quality:

99%min ^*data from raw suppliers

1,3-Di(4-pyridyl)propane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1CCCC2=CC=NC=C2
• Uses: 4,4′-Trimethylenedipyridine was used as ligand to study the solvent effects on the formal potential of redox-active self-assembling system [Os(bpy)2(dipy)Cl]1+ (bpy= 2,2′-bipyridine, dipy= 4,4′-Trimethylenedipyridine) in different organic solvents and aqueous solutions. It was used in the synthesis of two- and three-dimensional cadmium-organic frameworks.

Technology Process of 4,4'-Trimethylenedipyridine

There total 7 articles about 4,4'-Trimethylenedipyridine 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:

4-vinylpyridine (100-43-6,329041-72-7) + picoline (108-89-4) → 1,3-di(4-pyridyl)propane (17252-51-6)

Guidance literature:

With potassium; hydroquinone; benzene;

DOI:10.1021/ja01140a516 DOI:10.1021/jo01354a012

Reference yield:

1,3-di(piperidin-4-yl)propane (16898-52-5) → 1,3-di(4-pyridyl)propane (17252-51-6)

Guidance literature:

silica gel; palladium; at 170 ℃; for 3h;

DOI:10.1039/b718209k

Reference yield:

1,3-di(piperidin-4-yl)propane (16898-52-5) → 1,3-di(4-pyridyl)propane (17252-51-6) + C13H20N2 (897671-13-5)

Guidance literature:

silica gel; palladium; at 170 ℃;

DOI:10.1039/b718209k

upstream raw materials:

4-vinylpyridine

picoline

1,3-di(piperidin-4-yl)propane

oxygen

Downstream raw materials:

1,3-di(piperidin-4-yl)propane

Osdipy

Os(C₁₀H₈N₂)2((C₁₀H₈N₂)(CH₂)3)Cl⁽¹⁺⁾*PF₆^(1-)=[Os(C₁₀H₈N₂)2((C₁₀H₈N₂)(CH₂)3)Cl]PF₆

Fe(C₁₂H₁₈N₂O₂)(C₁₃H₁₄N₂)⁽¹⁺⁾*B(C₆H₅)4^(1-)=Fe(C₁₂H₁₈N₂O₂)(C₁₃H₁₄N₂)B(C₆H₅)4

Refernces

• 1、 Michalski,Zajac. "-". . p. 593,595. Retrieved 1963.
• 2、 Cui, Yi,Kwok, Samantha,Bucholtz, Andrew,Davis, Boyd,Whitney, Ralph A.,Jessop, Philip G.. "The effect of substitution on the utility of piperidines and octahydroindoles for reversible hydrogen storage". . p. 1027 - 1037. Retrieved 2008/12/20.