N-[4-Chloro-2-(pyridine-3-carbonyl)phenyl]-2,2-dimethylpropanamide

Base Information

• Chemical Name: N-[4-Chloro-2-(pyridine-3-carbonyl)phenyl]-2,2-dimethylpropanamide
• CAS No.: 114995-53-8
• Molecular Formula: C17H17ClN2O2
• Molecular Weight: 316.787
• DSSTox Substance ID: DTXSID10556447
• Wikidata: Q82438002
• Mol file: 114995-53-8.mol

Synonyms:114995-53-8;N-[4-Chloro-2-(pyridine-3-carbonyl)phenyl]-2,2-dimethylpropanamide;SCHEMBL344824;DTXSID10556447;WJELVNYAWTXMLN-UHFFFAOYSA-N;N-[4-chloro-2-(pyridine-3-carbonyl )-phenyl]-2,2-dimethyl-propionamide;N-[4-chloro-2-(pyridine-3-carbonyl)-phenyl]-2,2-dimethyl-propionamide;N-[4chloro-2-(pyridine-3-carbonyl)-phenyl]-2,2-dimethyl-propionamide

Chemical Property of N-[4-Chloro-2-(pyridine-3-carbonyl)phenyl]-2,2-dimethylpropanamide

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 316.0978555
• Heavy Atom Count: 22
• Complexity: 419

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CN=CC=C2

Technology Process of N-[4-Chloro-2-(pyridine-3-carbonyl)phenyl]-2,2-dimethylpropanamide

There total 2 articles about N-[4-Chloro-2-(pyridine-3-carbonyl)phenyl]-2,2-dimethylpropanamide 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%

N-[4-chloro-2-(hydroxy-pyridine-3-yl-methyl)-phenyl]-2,2-dimethyl-propionamide (698395-58-3) → 2-pivalamido-5-chlorophenyl 3-pyridyl ketone (114995-53-8)

Guidance literature:

With pyridine; chromium(VI) oxide; at 20 ℃; for 5h;

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) + N-(4-chlorophenyl)-2,2-dimethylpropionamide (65854-91-3) → 2-pivalamido-5-chlorophenyl 3-pyridyl ketone (114995-53-8)

Guidance literature:

Multistep reaction;

DOI:10.1021/jo00250a019

Reference yield: 71.0%

2-pivalamido-5-chlorophenyl 3-pyridyl ketone (114995-53-8) → (2-amino-5-chlorophenyl)-3-pyridinylmethanone (105192-41-4)

Guidance literature:

With sulfuric acid; at 95 - 100 ℃;

DOI:10.1021/jo00250a019

upstream raw materials:

3-pyridinecarboxaldehyde

N-(4-chlorophenyl)-2,2-dimethylpropionamide

N-[4-chloro-2-(hydroxy-pyridine-3-yl-methyl)-phenyl]-2,2-dimethyl-propionamide

Downstream raw materials:

(2-amino-5-chlorophenyl)-3-pyridinylmethanone

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