2-Chloro-N,3-dimethyl-N-phenylisonicotinamide

Base Information

• Chemical Name: 2-Chloro-N,3-dimethyl-N-phenylisonicotinamide
• CAS No.: 133928-64-0
• Molecular Formula: C14H13ClN2O
• Molecular Weight: 260.723
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00567865
• Wikidata: Q82453900
• Mol file: 133928-64-0.mol

Synonyms:133928-64-0;2-Chloro-N,3-dimethyl-N-phenylisonicotinamide;2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide;2-Chloro-3-methyl-N-methyl-N-phenylisonicotinamide;SCHEMBL738457;DTXSID00567865;GYLIQEMRUQOVEK-UHFFFAOYSA-N;AKOS015995110;2-chloro-3,N-dimethyl-N-phenylisonicotinamide

Chemical Property of 2-Chloro-N,3-dimethyl-N-phenylisonicotinamide

Chemical Property:

• Boiling Point: 432.5±45.0 °C(Predicted)
• PKA: 0.23±0.50(Predicted)
• PSA: 33.20000
• Density: 1.251±0.06 g/cm3(Predicted)
• LogP: 3.32000
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 260.0716407
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-N,3-dimethyl-N-phenylisonicotinamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CN=C1Cl)C(=O)N(C)C2=CC=CC=C2

Technology Process of 2-Chloro-N,3-dimethyl-N-phenylisonicotinamide

There total 3 articles about 2-Chloro-N,3-dimethyl-N-phenylisonicotinamide 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: 93.0%

2-chloro-N-phenylisonicotinamide (80194-83-8) + methyl iodide (74-88-4) → 2-chloro-3,N-dimethyl-N-phenyl-isonicotinamide (133928-64-0)

Guidance literature:

2-chloro-N-phenylisonicotinamide; With n-butyllithium; In tetrahydrofuran; hexanes; at -78 ℃; for 1.23333h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; hexanes; at -78 - 20 ℃; for 21.1333h;

Reference yield: 88.0%

2-chloro-N-phenylisonicotinamide (80194-83-8) → 2-chloro-3,N-dimethyl-N-phenyl-isonicotinamide (133928-64-0)

Guidance literature:

2-chloro-N-phenylisonicotinamide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

With methyl iodide; In tetrahydrofuran; hexane; at -78 - 33 ℃; for 1.5h;

Reference yield: 80.0%

methyl iodide (74-88-4) → 2-chloro-3,N-dimethyl-N-phenyl-isonicotinamide (133928-64-0)

Guidance literature:

2-chloro-N-phenylisonicotinamide; With n-butyllithium; In tetrahydrofuran; hexane; at -70 - -65 ℃; for 2.5h;

methyl iodide; In tetrahydrofuran; hexane; at -78 - 33 ℃; for 1.5h;

upstream raw materials:

2-chloro-N-phenylisonicotinamide

methyl iodide

Downstream raw materials:

2-chloro-3-methylisonicotinic acid

8-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-5-aza-spiro[2.5]oct-7-ene-7-carboxylic acid cyclopropyl-[2-(2-hydroxypropoxy)-3-methylpyridin-4-ylmethyl]amide

methyl 2-chloro-3-methyl-pyridine-4-carboxylate

2-chloro-3-methyl-pyridine-4-carbaldehyde

Refernces

• 1、 -. "SUBSTITUTED BENZENE COMPOUNDS". Page/Page column 427. . Retrieved 2012/11/06.
• 2、 -. "BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS". Page/Page column 44. . Retrieved 2008/06/13.