2-Chloro-4,6-dimethylpyridin-3-amine

Base Information

• Chemical Name: 2-Chloro-4,6-dimethylpyridin-3-amine
• CAS No.: 140413-40-7
• Molecular Formula: C7H9ClN2
• Molecular Weight: 156.61
• Hs Code.: 2933399090
• European Community (EC) Number: 865-999-5
• DSSTox Substance ID: DTXSID50440972
• Wikidata: Q72449609
• Mol file: 140413-40-7.mol

Synonyms:2-chloro-4,6-dimethylpyridin-3-amine;140413-40-7;2-Chloro-4,6-dimethyl-pyridin-3-ylamine;2-Chloro-4,6-dimethyl-3-pyridinylamine;SCHEMBL3886713;DTXSID50440972;PDPCDUNCJYNCDR-UHFFFAOYSA-N;MFCD08273051;STK787122;AKOS005207076;SB54416;EN300-81518;2-chloro-4,6-dimethylpyridin-3-amine, AldrichCPR;A899198;F2113-0038

Chemical Property of 2-Chloro-4,6-dimethylpyridin-3-amine

Chemical Property:

• Boiling Point: 284.1±35.0 °C(Predicted)
• PKA: 4.18±0.10(Predicted)
• PSA: 38.91000
• Density: 1.209±0.06 g/cm3(Predicted)
• LogP: 2.51520
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.0454260
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

97% ^*data from raw suppliers

2-chloro-4,6-dimethylpyridin-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=C1N)Cl)C
• Uses: 2-Chloro-4,6-dimethylpyridin-3-amine can be used as antiproliferative agents.

Technology Process of 2-Chloro-4,6-dimethylpyridin-3-amine

There total 3 articles about 2-Chloro-4,6-dimethylpyridin-3-amine 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: 75.0%

2-chloro-4,6-dimethylnicotinic acid amide (140413-44-1) → 3-amino-2-chloro-4,6-dimethylpyridine (140413-40-7)

Guidance literature:

With sodium hydroxide; bromine; 1.) 0 deg C, 1 h, 2.) 70 deg C, 45 min;

DOI:10.1021/jm00088a027

Reference yield:

2-hydroxy-4,6-dimethyl-3-carbonitrile (769-28-8,70254-47-6) → 3-amino-2-chloro-4,6-dimethylpyridine (140413-40-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 97 percent / POCl₃ / 3 h / Heating

2: 100 percent / conc. H₂SO₄ / 2 h / 120 °C

3: 75 percent / Br₂, aq. NaOH / 1.) 0 deg C, 1 h, 2.) 70 deg C, 45 min

With sodium hydroxide; sulfuric acid; bromine; trichlorophosphate;

DOI:10.1021/jm00088a027

Reference yield:

2-chloro-4,6-dimethylnicotinonitrile (14237-71-9) → 3-amino-2-chloro-4,6-dimethylpyridine (140413-40-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / conc. H₂SO₄ / 2 h / 120 °C

2: 75 percent / Br₂, aq. NaOH / 1.) 0 deg C, 1 h, 2.) 70 deg C, 45 min

With sodium hydroxide; sulfuric acid; bromine;

DOI:10.1021/jm00088a027

upstream raw materials:

2-chloro-4,6-dimethylnicotinic acid amide

2-hydroxy-4,6-dimethyl-3-carbonitrile

2-chloro-4,6-dimethylnicotinonitrile

Downstream raw materials:

2,4,5-trimethylpyrido<2,3-b><1,4>benzoxazepin-6(5H)-one

5-(2,5-difluoro-4-(2-methoxy-4,6-dimethylpyridin-3-yl)phenyl)-1-[(S)-tetrahydrofuran-3-yl]-1H-pyrazole-4-carboxylic acid

5-(2,5-difluoro-4-(2-methoxy-4,6-dimethylpyridin-3-yl)phenyl)-1-[(S)-tetrahydrofuran-3-yl]-1H-pyrazole-4-carboxamide

5-[2-fluoro-4-(2-methoxy-4,6-dimethylpyridin-3-yl)phenyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxamide