2-phenyl-N-(pyridin-3-yl)acetamide

Base Information

• Chemical Name: 2-phenyl-N-(pyridin-3-yl)acetamide
• CAS No.: 5221-39-6
• Molecular Formula: C13H12 N2 O
• Molecular Weight: 212.251
• NSC Number: 160927
• DSSTox Substance ID: DTXSID30303753
• Wikidata: Q82049202
• ChEMBL ID: CHEMBL1332458
• Mol file: 5221-39-6.mol

Synonyms:5221-39-6;2-phenyl-N-(pyridin-3-yl)acetamide;NSC 160927;benzeneacetamide, n-3-pyridinyl-;NSC160927;BAS 02953944;Oprea1_006164;Oprea1_508622;MLS000708630;SCHEMBL2198042;CHEMBL1332458;DTXSID30303753;HMS1691B01;HMS2591A22;STK180723;AKOS000385365;NSC-160927;SMR000289197;SR-01000322815;SR-01000322815-1

Chemical Property of 2-phenyl-N-(pyridin-3-yl)acetamide

Chemical Property:

• Vapor Pressure: 6.35E-08mmHg at 25°C
• Boiling Point: 439.5°Cat760mmHg
• Flash Point: 219.6°C
• Density: 1.202g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.094963011
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)NC2=CN=CC=C2

Technology Process of 2-phenyl-N-(pyridin-3-yl)acetamide

There total 4 articles about 2-phenyl-N-(pyridin-3-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: 63.0%

pyridin-3-ylamine (462-08-8) + phenylacetic acid (103-82-2) → N-(pyridin-3-yl)-2-phenylacetamide (5221-39-6)

Guidance literature:

With tris(2,2,2-trifluoroethyl) borate; for 24h; Dean-Stark; Reflux;

DOI:10.1039/c9ob01012b

Reference yield:

3-Chloropyridine (626-60-8) + Benzeneacetamide (103-81-1) → N-(pyridin-3-yl)-2-phenylacetamide (5221-39-6)

Guidance literature:

With C₃₃H₃₇N₄P; potassium carbonate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tert-butyl alcohol; at 95 ℃; for 3h; Inert atmosphere; Sonication;

Reference yield:

pyridin-3-ylamine (462-08-8) + phenylacetyl chloride (103-80-0) → N-(pyridin-3-yl)-2-phenylacetamide (5221-39-6)

Guidance literature:

With 4-methyl-morpholine; In dichloromethane; for 6h;

DOI:10.1021/jm9901935

upstream raw materials:

pyridin-3-ylamine

phenylacetyl chloride

phenylacetic acid

3-Chloropyridine

Refernces

• 1、 -. "Preparation method of compound containing bipyrazole ring and intermediate thereof". Paragraph 0300-0302. . Retrieved 2020/05/14.
• 2、 Deb, Arghya,Hazra, Avijit,Peng, Qian,Paton, Robert S.,Maiti, Debabrata. "Detailed mechanistic studies on palladium-catalyzed selective C-H olefination with aliphatic alkenes: A significant influence of proton shuttling". supporting information. p. 763 - 775. Retrieved 2017/05/17.