n-(Pyrimidin-2-yl)acetamide

Base Information

• Chemical Name: n-(Pyrimidin-2-yl)acetamide
• CAS No.: 13053-88-8
• Molecular Formula: C₆H₇N₃O
• Molecular Weight: 137.141
• Hs Code.: 2933599090
• European Community (EC) Number: 623-943-5
• NSC Number: 118937
• DSSTox Substance ID: DTXSID10297888
• Nikkaji Number: J1.408.434G
• Wikidata: Q82039382
• Mol file: 13053-88-8.mol

Synonyms:n-(pyrimidin-2-yl)acetamide;13053-88-8;2-ACETAMIDOPYRIMIDINE;N-pyrimidin-2-ylacetamide;Acetamide, N-2-pyrimidinyl- (8CI,9CI);acetylaminopyrimidine;NSC118937;N-(2-Pyrimidinyl)acetamide;Acetamide, N-2-pyrimidinyl-;SCHEMBL2491687;DTXSID10297888;MFCD00160511;AKOS003857379;DS-5847;NSC-118937;SB57228;CS-0153955;FT-0749586;D97299;A888708

Chemical Property of n-(Pyrimidin-2-yl)acetamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 54.88000
• Density: 1.258g/cm³
• LogP: 0.50800
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.058911855
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

2-Acetamidopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=NC=CC=N1

Technology Process of n-(Pyrimidin-2-yl)acetamide

There total 4 articles about n-(Pyrimidin-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: 91.0%

acetamide (60-35-5) + 2-chloropyrimidine (1722-12-9,1195939-87-7) → 2-acetylaminopyrimidine (13053-88-8)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.12.088

Reference yield: 91.0%

2-aminopyrimidine (109-12-6) + acetic anhydride (108-24-7) → 2-acetylaminopyrimidine (13053-88-8)

Guidance literature:

CoCl₂; In acetonitrile; for 3h; Ambient temperature;

DOI:10.1039/c39870000114

Reference yield: 88.0%

2-aminopyrimidine (109-12-6) + acetyl chloride (75-36-5) → 2-acetylaminopyrimidine (13053-88-8)

Guidance literature:

In acetic acid; at 90 ℃; for 24h;

DOI:10.3987/COM-05-S(T)72

upstream raw materials:

2-aminopyrimidine

acetic anhydride

acetyl chloride

acetamide

Downstream raw materials:

N-acetyl-1-dodecylamine

2-chloro-N-dodecylacetamide

Refernces

• 1、 Kondo. "-". . p. 1443. Retrieved 1976.
• 2、 Helgen, Celine,Bochet, Christian G.. "Pyridine-derived heterocycles as potential photoacylating reagents". . p. 797 - 805. Retrieved 2007/10/03.
• 3、 Uno,Machida,Hanai. "Infrared spectra of sulfonamide derivatives. II. Thiophene, thiadiazole, and isoxazole derivatives.". . p. 756 - 762. Retrieved 2007/10/04.