Ethyl 2-(pyrimidin-2-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(pyrimidin-2-yl)acetate
• CAS No.: 63155-11-3
• Molecular Formula: C8H10 N2 O2
• Molecular Weight: 166.17700
• Hs Code.: 2933599090
• European Community (EC) Number: 873-141-6
• DSSTox Substance ID: DTXSID60494582
• Wikidata: Q72504801
• Mol file: 63155-11-3.mol

Synonyms:63155-11-3;ethyl 2-(pyrimidin-2-yl)acetate;2-PYRIMIDINEACETIC ACID ETHYL ESTER;Ethyl 2-(2-Pyrimidyl)acetate;ethyl 2-pyrimidin-2-ylacetate;PYRIMIDIN-2-YL-ACETIC ACID ETHYL ESTER;Ethyl (pyrimidin-2-yl)acetate;2-Pyrimidineacetic acid, ethyl ester (9CI);MFCD09953517;2-Pyrimidineacetic acid, ethyl ester;ethyl (2-pyrimidinyl)acetate;(ethoxycarbonylmethyl)pyrimidine;SCHEMBL7890254;ethyl2-(pyrimidin-2-yl)acetate;DTXSID60494582;DZQZAEMLHNEMEN-UHFFFAOYSA-N;ETHYL PYRIMIDINE-2-ACETATE;AKOS006311316;CS-W003699;PB14776;AC-25241;DS-10518;SY007015;AM20100560;FT-0648659;A25936;J-510317;2-Pyrimidineacetic acid ethyl ester

Chemical Property of Ethyl 2-(pyrimidin-2-yl)acetate

Chemical Property:

• Vapor Pressure: 0.0429mmHg at 25°C
• Boiling Point: 238oC
• PKA: 0.93±0.13(Predicted)
• Flash Point: 98 ºC
• PSA: 52.08000
• Density: 1.144
• LogP: 0.58220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(Pyrimidin-2-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(pyrimidin-2-yl)acetate

There total 3 articles about Ethyl 2-(pyrimidin-2-yl)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: 92.0%

2-chloropyrimidine (1722-12-9,1195939-87-7) + diethyl malonate (105-53-3) → 2-pyrimidine acetic acid ethyl ester (63155-11-3)

Guidance literature:

diethyl malonate; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at -78 ℃; for 0.166667h;

2-chloropyrimidine; In N,N-dimethyl-formamide; mineral oil; at 20 - 120 ℃; for 90h;

Reference yield: 62.0%

diethyl 2-(Pyrimidin-2-yl)malonate (164296-40-6) → 2-pyrimidine acetic acid ethyl ester (63155-11-3)

Guidance literature:

With sodium chloride; In water; dimethyl sulfoxide;

Reference yield:

→ 2-pyrimidine acetic acid ethyl ester (63155-11-3)

Guidance literature:

(3g), Pd/Aktivkohle, Hydrierung;

upstream raw materials:

diethyl 2-(Pyrimidin-2-yl)malonate

2-chloropyrimidine

diethyl malonate

Downstream raw materials:

2-pyrimidin-2- ylpropan-1-ol

ethyl 2-pyrimidin-2-ylpropanoate

3-chloro-5-(4-chlorophenyl)-6-methyl-4-(2-pyrimidinyl)pyridazine

5-(4-chlorophenyl)-6-methyl-4-(2-pyrimidinyl)-2H-pyridazin-3-one