N-(6-chloropyrazin-2-yl)acetamide

Base Information

• Chemical Name: N-(6-chloropyrazin-2-yl)acetamide
• CAS No.: 132453-63-5
• Molecular Formula: C6H6ClN3O
• Molecular Weight: 171.58
• European Community (EC) Number: 852-434-2
• ChEMBL ID: CHEMBL4516698
• DSSTox Substance ID: DTXSID90878876
• Nikkaji Number: J419.512D
• Wikidata: Q82860897
• Mol file: 132453-63-5.mol

Synonyms:N-(6-chloropyrazin-2-yl)acetamide;132453-63-5;N-(6-Chloro-2-pyrazinyl)acetamide;SCHEMBL6284192;CHEMBL4516698;ULFJKYKKTRODFV-UHFFFAOYSA-;DTXSID90878876;ULFJKYKKTRODFV-UHFFFAOYSA-N;AKOS025282838;N-(6-Chloro-pyrazin-2-yl)-acetamide;2-CHLORO-6-ACETYLAMINO-PYRAZINE;VS-09153;CS-0444621;EN300-140190;G30098;InChI=1/C6H6ClN3O/c1-4(11)9-6-3-8-2-5(7)10-6/h2-3H,1H3,(H,9,10,11)

Chemical Property of N-(6-chloropyrazin-2-yl)acetamide

Chemical Property:

• Boiling Point: 353.794 °C at 760 mmHg
• PKA: 12.22±0.70(Predicted)
• Flash Point: 167.769 °C
• Density: 1.419 g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.0199395
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

N-(6-chloropyrazin-2-yl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CN=CC(=N1)Cl

Technology Process of N-(6-chloropyrazin-2-yl)acetamide

There total 2 articles about N-(6-chloropyrazin-2-yl)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: 55.0%

acetic anhydride (108-24-7) + 2-amino-6-chloropyrazine (33332-28-4) → N-(6-chloropyrazin-2-yl)acetamide (132453-63-5)

Guidance literature:

In acetic acid; at 95 ℃; for 2.5h;

DOI:10.1016/S0040-4020(01)91257-8

Reference yield: 52.9%

acetyl chloride (75-36-5) + 2-amino-6-chloropyrazine (33332-28-4) → N-(6-chloropyrazin-2-yl)acetamide (132453-63-5)

Guidance literature:

Reference yield: 15.4%

2-chloro-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine + N-(6-chloropyrazin-2-yl)acetamide (132453-63-5) → N-(6-(5-phenyl-4-((pyridin-2-ylmethyl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazin-2-yl)acetamide

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane;

upstream raw materials:

acetic anhydride

2-amino-6-chloropyrazine

acetyl chloride