2-chloro-N-(pyridin-2-ylmethyl)acetamide

Base Information

• Chemical Name: 2-chloro-N-(pyridin-2-ylmethyl)acetamide
• CAS No.: 46120-62-1
• Molecular Formula: C8H9ClN2O
• Molecular Weight: 184.625
• DSSTox Substance ID: DTXSID80963508
• Wikidata: Q82945375
• Mol file: 46120-62-1.mol

Synonyms:2-chloro-N-(pyridin-2-ylmethyl)acetamide;46120-62-1;2-Chloro-N-pyridin-2-ylmethyl-acetamide;2-Chloro-N-pyridin-2-ylmethylacetamide;SCHEMBL3841381;DTXSID80963508;DGFBCFICXACZKT-UHFFFAOYSA-N;BBL029949;STL371952;AKOS000263366;AM100841;VS-09527;2-chloro-N-[(pyridin-2-yl)methyl]acetamide;CS-0327237;2-Chloro-N-[(pyridin-2-yl)methyl]ethanimidic acid

Chemical Property of 2-chloro-N-(pyridin-2-ylmethyl)acetamide

Chemical Property:

• Vapor Pressure: 3.9E-06mmHg at 25°C
• Boiling Point: 385.1°Cat760mmHg
• Flash Point: 186.7°C
• PSA: 41.99000
• Density: 1.236g/cm³
• LogP: 1.32750
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0403406
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

98%Min ^*data from raw suppliers

2-chloro-N-(pyridin-2-ylmethyl)acetamideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)CNC(=O)CCl

Technology Process of 2-chloro-N-(pyridin-2-ylmethyl)acetamide

There total 2 articles about 2-chloro-N-(pyridin-2-ylmethyl)acetamide 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: 96.0%

2-(Aminomethyl)pyridine (3731-51-9) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(pyridin-2-ylmethyl)acetamide (46120-62-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; at -70 - 20 ℃;

DOI:10.1039/b502052b

Reference yield:

→ 2-chloro-N-(pyridin-2-ylmethyl)acetamide (46120-62-1)

Guidance literature:

2-Aminomethyl-pyridin IV in Ae., wss. NaOH, Chloracetylchlorid in Ae., < 2grad;

Reference yield: 88.0%

2-chloro-N-(pyridin-2-ylmethyl)acetamide (46120-62-1) + thiophenol (108-98-5) → 2-(phenylsulfanyl)-N-(pyridin-2-ylmethyl)acetamide

Guidance literature:

thiophenol; With potassium tert-butylate; In tetrahydrofuran; for 0.5h; Inert atmosphere;

2-chloro-N-(pyridin-2-ylmethyl)acetamide; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1007/s11172-015-1207-9

upstream raw materials:

2-(Aminomethyl)pyridine

chloroacetyl chloride