2,6-Dichloro-3-[(2-methyl-4-nitrophenyl)methyl]pyridine

Base Information

• Chemical Name: 2,6-Dichloro-3-[(2-methyl-4-nitrophenyl)methyl]pyridine
• CAS No.: 112170-45-3
• Molecular Formula: C13H10Cl2N2O2
• Molecular Weight: 297.141
• DSSTox Substance ID: DTXSID80552552
• Wikidata: Q82432881
• Mol file: 112170-45-3.mol

Synonyms:112170-45-3;2,6-Dichloro-3-[(2-methyl-4-nitrophenyl)methyl]pyridine;DTXSID80552552

Chemical Property of 2,6-Dichloro-3-[(2-methyl-4-nitrophenyl)methyl]pyridine

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 296.0119330
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])CC2=C(N=C(C=C2)Cl)Cl

Technology Process of 2,6-Dichloro-3-[(2-methyl-4-nitrophenyl)methyl]pyridine

There total 4 articles about 2,6-Dichloro-3-[(2-methyl-4-nitrophenyl)methyl]pyridine 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: 67.0%

3-Chloro-3-(2'-methyl-4'-nitrobenzyl)-2,6-piperidinedione (112176-93-9) → 3-(2,6-Dichloropyridyl)-2'-methyl-4'-nitrophenylmethane (112170-45-3)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; trichlorophosphate; at 165 ℃; for 3h;

Reference yield:

2,4-dicyano-1-butene (1572-52-7) → 3-(2,6-Dichloropyridyl)-2'-methyl-4'-nitrophenylmethane (112170-45-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 64 percent / Isopentyl nitrite; Copper(I) chloride; conc. HCl / various solvent(s) / 55 - 65 °C

2: 97 percent / 78percent H₂SO₄ / acetic acid / Heating

3: 67 percent / POCl₃, Hexamethyl phosphoric acid triamide / 3 h / 165 °C

With hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; sulfuric acid; copper(l) chloride; trichlorophosphate; isopentyl nitrite; In acetic acid;

Reference yield:

1-(2-Methyl-4-nitrophenyl)-2-chloro-2,4-dicyanobutane (112177-12-5) → 3-(2,6-Dichloropyridyl)-2'-methyl-4'-nitrophenylmethane (112170-45-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / 78percent H₂SO₄ / acetic acid / Heating

2: 67 percent / POCl₃, Hexamethyl phosphoric acid triamide / 3 h / 165 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; sulfuric acid; trichlorophosphate; In acetic acid;

upstream raw materials:

3-Chloro-3-(2'-methyl-4'-nitrobenzyl)-2,6-piperidinedione

2,4-dicyano-1-butene

1-(2-Methyl-4-nitrophenyl)-2-chloro-2,4-dicyanobutane

2-methyl-4-nitro-benzenamine

Downstream raw materials:

4-nitro-2-carboxyphenyl-3-(2,6-dichloropyridyl)ketone

Refernces