3-Chloro-4-methylpyridine

Base Information

• Chemical Name: 3-Chloro-4-methylpyridine
• CAS No.: 72093-04-0
• Molecular Formula: C6H6ClN
• Molecular Weight: 127.573
• Hs Code.: 2933399090
• European Community (EC) Number: 628-375-1
• DSSTox Substance ID: DTXSID40376579
• Wikidata: Q72454852
• Mol file: 72093-04-0.mol

Synonyms:3-Chloro-4-methylpyridine;72093-04-0;PYRIDINE, 3-CHLORO-4-METHYL-;3-chloro-4-methyl-pyridine;SCHEMBL112132;DTXSID40376579;VLNXNJMHLZFECV-UHFFFAOYSA-N;3-Chloro-4-methylpyridine, 97%;BCP22109;BBL102838;GEO-00730;MFCD04114245;STL556646;AKOS015842366;AB18019;CS-W011140;DS-0909;A9398;FT-0646506;EN300-125459

Chemical Property of 3-Chloro-4-methylpyridine

Chemical Property:

• Vapor Pressure: 1.53mmHg at 25°C
• Refractive Index: n20/D 1.5310
• Boiling Point: 175.6 °C at 760 mmHg
• Flash Point: 74.9 °C
• PSA: 12.89000
• Density: 1.15 g/cm³
• LogP: 2.04340
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 127.0188769
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-4-methylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-37/38-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NC=C1)Cl
• Uses: 3-Chloro-4-methylpyridine, is a versatile building block for the synthesis of more complex pharmaceutical and biologically active compounds.

Technology Process of 3-Chloro-4-methylpyridine

There total 4 articles about 3-Chloro-4-methylpyridine 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:

picoline (108-89-4) → 3-chloro-4-methylpyridine (72093-04-0) + 3,5-dichloro-4-picoline (100868-46-0)

Guidance literature:

With aluminium trichloride; chlorine; at 92 ℃;

DOI:10.1021/jo01062a036

Reference yield:

3,4-dihydro-2-methoxy-4-methyl-2H-pyran (38113-08-5,38320-49-9,53608-95-0) → 3-chloro-4-methylpyridine (72093-04-0)

Guidance literature:

With chlorine; anschliessend Erwaermen mit Eisen(III)-chlorid und Ammoniumchlorid in Wasser;

Reference yield:

3-Chloropyridine (626-60-8) + methyl iodide (74-88-4) → 3-chloro-4-methylpyridine (72093-04-0) + 3-chloro-4-ethylpyridine (79698-48-9)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF;

DOI:10.1016/S0022-328X(00)85754-X

upstream raw materials:

picoline

3-Chloropyridine

methyl iodide

3,4-dihydro-2-methoxy-4-methyl-2H-pyran

Downstream raw materials:

N,N-dimethyl-2-((4-methylpyridin-3-yl)amino)benzamide

3-(1-(benzyloxy)-3-phenylpropyl)-4-methylpyridine

methyl-4 phenyl-3 pyridine

4-methyl-3-(2-methylphenyl)pyridine

Refernces