N-benzyl-2-chloropyridine-4-carboxamide

Base Information

• Chemical Name: N-benzyl-2-chloropyridine-4-carboxamide
• CAS No.: 132222-38-9
• Molecular Formula: C13H11ClN2O
• Molecular Weight: 246.696
• Hs Code.: 2933399090
• European Community (EC) Number: 838-427-7
• Nikkaji Number: J490.861I
• Mol file: 132222-38-9.mol

Synonyms:N-benzyl-2-chloropyridine-4-carboxamide;132222-38-9;N-benzyl-2-chloroisonicotinamide;SCHEMBL1767471;GPHOZXHUZVPYJC-UHFFFAOYSA-N;MFCD09862951;AKOS000206151;CS-0257857;EN300-68313;G22129;AO-854/43489840;SR-01000650643;SR-01000650643-1;Z147122982

Chemical Property of N-benzyl-2-chloropyridine-4-carboxamide

Chemical Property:

• Boiling Point: 447.0±40.0 °C(Predicted)
• PKA: 13.34±0.46(Predicted)
• PSA: 41.99000
• Density: 1.260±0.06 g/cm3(Predicted)
• LogP: 3.05590
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.0559907
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

N-BENZYL-2-CHLOROPYRIDINE-4-CARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=C2)Cl

Technology Process of N-benzyl-2-chloropyridine-4-carboxamide

There total 3 articles about N-benzyl-2-chloropyridine-4-carboxamide 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: 60.0%

2-chloro-4-pyridinenitrile (33252-30-1) + benzylamine (100-46-9) → 2-chloroisonicotinic acid benzylamide (132222-38-9)

Guidance literature:

With cesiumhydroxide monohydrate; In water; at 160 ℃; for 48h; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1039/c6gc01565d

Reference yield:

2-chloropyridine-4-carbonyl chloride (65287-34-5) + benzylamine (100-46-9) → 2-chloroisonicotinic acid benzylamide (132222-38-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 16h;

Reference yield:

C11H12ClNO4 + benzylamine (100-46-9) → 2-chloroisonicotinic acid benzylamide (132222-38-9)

Guidance literature:

In tetrahydrofuran; at -15 - 20 ℃; Inert atmosphere;

upstream raw materials:

benzylamine

2-chloropyridine-4-carbonyl chloride

2-chloro-4-pyridinenitrile

Downstream raw materials:

N-benzyl-2-(2-oxopiperidin-1-yl)isonicotinamide

N-benzyl-2-(2-oxo-4-phenylpyridn-1(2H)-yl)isonicotinamide

4-benzyloxy-2-oxo-2H-[1,2']bipyridinyl-4'-carboxylic acid benzylamide

2-oxo-4-phenyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4'-carboxylic acid benzylamide

Refernces

• 1、 Strupinska, Marzanna,Rostafinska-Suchar, Grazyna,Stables, James. P.,Paruszewski, Ryszard. "New derivatives of benzylamide with anticonvulsant activity". experimental part. p. 155 - 159. Retrieved 2009/06/18.