Methyl 2-(2-pyrimidyl)acetate

Base Information

• Chemical Name: Methyl 2-(2-pyrimidyl)acetate
• CAS No.: 60561-50-4
• Molecular Formula: C₇H₈N₂O₂
• Molecular Weight: 152.153
• Hs Code.: 2933599590
• European Community (EC) Number: 837-682-1
• DSSTox Substance ID: DTXSID30497449
• Wikidata: Q82347008
• Mol file: 60561-50-4.mol

Synonyms:METHYL 2-(2-PYRIMIDYL)ACETATE;60561-50-4;methyl 2-pyrimidin-2-ylacetate;Methyl2-(2-Pyrimidyl)acetate;Methyl 2-(pyrimidin-2-yl)acetate;MFCD12198887;Methyl (pyrimidin-2-yl)acetate;SCHEMBL11714467;DTXSID30497449;ZDUBLLCAMMIGFH-UHFFFAOYSA-N;AMY20530;2-Pyrimidineacetic acid methyl ester;AKOS015892461;SB57577;CS-11114;SY005830;CS-0061881;FT-0743409;EN300-189416;Z1255420534

Chemical Property of Methyl 2-(2-pyrimidyl)acetate

Chemical Property:

• Vapor Pressure: 0.115mmHg at 25°C
• Boiling Point: 220.1°C at 760 mmHg
• PKA: 0.86±0.13(Predicted)
• Flash Point: 86.9°C
• PSA: 52.08000
• Density: 1.182g/cm³
• LogP: 0.19210
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 152.058577502
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(2-Pyrimidyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=NC=CC=N1

Technology Process of Methyl 2-(2-pyrimidyl)acetate

There total 4 articles about Methyl 2-(2-pyrimidyl)acetate 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:

2-(pyrimidin-2-yl)acetonitrile (59566-45-9) → methyl 2-(pyrimidin-2-yl)acetate (60561-50-4)

Guidance literature:

With sulfuric acid; In methanol;

Reference yield:

2-chloromethylpyrimidine (54198-88-8) → methyl 2-(pyrimidin-2-yl)acetate (60561-50-4)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfoxide

2: sulfuric acid / methanol

With sulfuric acid; In methanol; dimethyl sulfoxide;

Reference yield:

2-pyrimidinemethanol (42839-09-8) → methyl 2-(pyrimidin-2-yl)acetate (60561-50-4)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / water

2: dimethyl sulfoxide

3: sulfuric acid / methanol

With thionyl chloride; sulfuric acid; In methanol; water; dimethyl sulfoxide;

upstream raw materials:

2-(pyrimidin-2-yl)acetonitrile

2-chloromethylpyrimidine

2-pyrimidinemethanol