5-Bromo-4-chloro-2,6-dimethoxypyrimidine

Base Information

• Chemical Name: 5-Bromo-4-chloro-2,6-dimethoxypyrimidine
• CAS No.: 42362-16-3
• Molecular Formula: C7H7BrClNO2
• Molecular Weight: 253.483
• DSSTox Substance ID: DTXSID60481316
• Nikkaji Number: J2.358.779C
• Wikidata: Q82316653
• Mol file: 42362-16-3.mol

Synonyms:5-Bromo-4-chloro-2,6-dimethoxypyrimidine;42362-16-3;SCHEMBL501178;DTXSID60481316;XQJBRHJTKOSSEE-UHFFFAOYSA-N;SB60223;5-bromo-4-chloro-2,6-dimethoxy-pyrimidine;FT-0663673;EN300-7967790

Chemical Property of 5-Bromo-4-chloro-2,6-dimethoxypyrimidine

Chemical Property:

• Boiling Point: 337.8±52.0 °C(Predicted)
• PKA: -3.34±0.39(Predicted)
• PSA: 44.24000
• Density: 1.667±0.06 g/cm3(Predicted)
• LogP: 1.90970
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 251.93012
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

5-Bromo-4-chloro-2,6-dimethoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=NC(=N1)OC)Cl)Br

Technology Process of 5-Bromo-4-chloro-2,6-dimethoxypyrimidine

There total 2 articles about 5-Bromo-4-chloro-2,6-dimethoxypyrimidine 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: 96.0%

6-chloro-2,4-dimethoxypyrimidine (6320-15-6) → 5-bromo-4-chloro-2,6-dimethoxypyrimidine (42362-16-3)

Guidance literature:

With potassium bromide; sodium nitrite; In acetic acid; at 20 ℃;

DOI:10.1071/CH14416

Reference yield:

→ 5-bromo-4-chloro-2,6-dimethoxypyrimidine (42362-16-3)

Guidance literature:

4-Chlor-2,6-dimethoxypyrimidin, Brom;

DOI:10.1021/jo00965a008

Reference yield: 91.0%

5-bromo-4-chloro-2,6-dimethoxypyrimidine (42362-16-3) + benzaldehyde (100-52-7) → (4-chloro-2,6-dimethoxypyrimidin-5-yl)(phenyl)methanol (134221-50-4)

Guidance literature:

5-bromo-4-chloro-2,6-dimethoxypyrimidine; With TurboGrignard; In tetrahydrofuran; at 20 ℃; for 0.25h;

benzaldehyde; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1021/ol061295+

upstream raw materials:

6-chloro-2,4-dimethoxypyrimidine

Downstream raw materials:

4-chloro-2,6-dimethoxypyrimidine-5-carboxaldehyde

5-benzyl-4-chloro-2,6-dimethoxypyrimidine

(4-chloro-2,6-dimethoxypyrimidin-5-yl)(phenyl)methanol

(4-chloro-2,6-dimethoxypyrimidin-5-yl)(phenyl)methanone