3-Pyridinecarboxamide, N-butyl-2-chloro-

Base Information

• Chemical Name: 3-Pyridinecarboxamide, N-butyl-2-chloro-
• CAS No.: 56149-32-7
• Molecular Formula: C10H13ClN2O
• Molecular Weight: 212.676
• DSSTox Substance ID: DTXSID20204684
• Wikidata: Q83078112
• Mol file: 56149-32-7.mol

Synonyms:56149-32-7;N-BUTYL-2-CHLORONICOTINAMIDE;3-Pyridinecarboxamide, N-butyl-2-chloro-;N-butyl-2-chloropyridine-3-carboxamide;N-Butyl-2-chloro-3-pyridinecarboxamide;DTXSID20204684;AKOS000161388;LS-130562

Chemical Property of 3-Pyridinecarboxamide, N-butyl-2-chloro-

Chemical Property:

• Vapor Pressure: 1.94E-05mmHg at 25°C
• Boiling Point: 362.4°Cat760mmHg
• Flash Point: 173°C
• PSA: 41.99000
• Density: 1.152g/cm³
• LogP: 2.65580
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 212.0716407
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

98%min ^*data from raw suppliers

N-Butyl-2-chloronicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)C1=C(N=CC=C1)Cl

Technology Process of 3-Pyridinecarboxamide, N-butyl-2-chloro-

There total 4 articles about 3-Pyridinecarboxamide, N-butyl-2-chloro- 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: 70.0%

2-Chloronicotinoyl chloride (49609-84-9) + N-butylamine (109-73-9,85404-21-3) → N-n-butyl-2-chloronicotinamide (56149-32-7)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 4h;

DOI:10.1016/j.ejmech.2012.12.016

Reference yield:

2-chloronicotinic acid (2942-59-8) → N-n-butyl-2-chloronicotinamide (56149-32-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide; thionyl chloride / 6 h / Reflux

2: dichloromethane / 4 h / 0 - 20 °C

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1016/j.ejmech.2012.12.016

Reference yield:

2-chloro-3-pyridinecarbonitrile (6602-54-6) → N-n-butyl-2-chloronicotinamide (56149-32-7)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid / 10 h / 100 °C

2: N,N-dimethyl-formamide; thionyl chloride / 6 h / Reflux

3: dichloromethane / 4 h / 0 - 20 °C

With thionyl chloride; sulfuric acid; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1016/j.ejmech.2012.12.016

upstream raw materials:

2-Chloronicotinoyl chloride

N-butylamine

2-chloronicotinic acid

2-chloro-3-pyridinecarbonitrile

Downstream raw materials:

C₁₉H₂₄N₂O₂S

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