5-Bromo-2-ethoxypyrimidine

Base Information

• Chemical Name: 5-Bromo-2-ethoxypyrimidine
• CAS No.: 17758-11-1
• Molecular Formula: C6H7BrN2O
• Molecular Weight: 203.038
• Hs Code.: 2933599590
• European Community (EC) Number: 815-061-6
• DSSTox Substance ID: DTXSID90586045
• Wikidata: Q82478074
• Mol file: 17758-11-1.mol

Synonyms:5-Bromo-2-ethoxypyrimidine;17758-11-1;5-BROMO-2-ETHOXY-PYRIMIDINE;MFCD07375135;Pyrimidine, 5-bromo-2-ethoxy-;SCHEMBL738509;DTXSID90586045;GNSREVHIXMTHFA-UHFFFAOYSA-N;CS-M1310;AKOS013153816;AB41256;AM86700;PS-3822;SY015481;DB-065193;EN300-337165;H10377;A881457;W-206246

Chemical Property of 5-Bromo-2-ethoxypyrimidine

Chemical Property:

• Vapor Pressure: 0.0114mmHg at 25°C
• Boiling Point: 270.3oC at 760 mmHg
• PKA: -0.15±0.22(Predicted)
• Flash Point: 117.3oC
• PSA: 35.01000
• Density: 1.531g/cm3
• LogP: 1.63780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.97418
• Heavy Atom Count: 10
• Complexity: 93.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromo-2-ethoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC=C(C=N1)Br

Technology Process of 5-Bromo-2-ethoxypyrimidine

There total 2 articles about 5-Bromo-2-ethoxypyrimidine 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: 95.0%

ethanol (64-17-5) + 5-Bromo-2-chloropyrimidine (32779-36-5) → 5-bromo-2-ethoxy-pyrimidine (17758-11-1)

Guidance literature:

ethanol; With sodium; at 0 - 20 ℃;

5-Bromo-2-chloropyrimidine; at 20 ℃;

DOI:10.3987/COM-11-12175

Reference yield:

sodium ethanolate (141-52-6) + 5-Bromo-2-chloropyrimidine (32779-36-5) → 5-bromo-2-ethoxy-pyrimidine (17758-11-1)

Guidance literature:

In ethanol; at 20 ℃; for 15h;

Reference yield: 86.0%

bis(pinacol)diborane (73183-34-3) + 5-bromo-2-ethoxy-pyrimidine (17758-11-1) → 2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 100 ℃;

upstream raw materials:

ethanol

5-Bromo-2-chloropyrimidine

sodium ethanolate

Downstream raw materials:

ethyl 3-(2-ethoxypyrimidin-5-yl)acrylate

ethyl 3-(2-ethoxypyrimidin-5-yl)propionate

2-ethoxy-5-(m-tolylethynyl)pyrimidine

C₁₄H₁₂N₂O

Refernces

• 1、 -. "PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM". Paragraph 0394. . Retrieved 2015/02/19.