5-Bromo-4,6-dimethylpyrimidine

Base Information

• Chemical Name: 5-Bromo-4,6-dimethylpyrimidine
• CAS No.: 157335-97-2
• Molecular Formula: C6H7BrN2
• Molecular Weight: 187.039
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80565465
• Nikkaji Number: J2.957.202J
• Wikidata: Q82450580
• Mol file: 157335-97-2.mol

Synonyms:5-Bromo-4,6-dimethylpyrimidine;157335-97-2;Pyrimidine, 5-bromo-4,6-dimethyl-;MFCD08059561;5-bromo-4,6-dimethyl-pyrimidine;SCHEMBL2327689;AMY1668;DTXSID80565465;WDMWXYZJJVYMHE-UHFFFAOYSA-N;CS1272;AKOS006345043;FS-2672;PB26303;AC-31908;SY031115;CS-0045927;A883507;J-517066

Chemical Property of 5-Bromo-4,6-dimethylpyrimidine

Chemical Property:

• Vapor Pressure: 0.0581mmHg at 25°C
• Melting Point: 162-164 °C
• Boiling Point: 240.6°C at 760 mmHg
• PKA: 1.52±0.26(Predicted)
• Flash Point: 99.3°C
• PSA: 25.78000
• Density: 1.5g/cm³
• LogP: 1.85590
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 185.97926
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-4,6-dimethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC=N1)C)Br
• Uses: 5-Bromo-4,6-dimethylpyrimidine is a useful synthetic intermediate. It is used to prepare indanyloxydihydrobenzofuranylacetic acids as GPR40 receptor modulators.

Technology Process of 5-Bromo-4,6-dimethylpyrimidine

There total 3 articles about 5-Bromo-4,6-dimethylpyrimidine 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: 69.0%

2-hydrazino-4,6-dimethyl-5-bromopyrimidine (157335-96-1) → 4,6-dimethyl-5-bromopyrimidine (157335-97-2)

Guidance literature:

With silver(I) acetate; acetic acid; In water; at 80 ℃; for 2h;

Reference yield:

5-bromo-4,6-dimethyl-2(1H)-pyrimidinone (7781-20-6) → 4,6-dimethyl-5-bromopyrimidine (157335-97-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / POCl₃ / dimethylformamide

2: 83 percent / hydrazine hydrate / ethanol / 3 h / Heating

3: 69 percent / AgAc, AcOH / H₂O / 2 h / 80 °C

With silver(I) acetate; hydrazine hydrate; acetic acid; trichlorophosphate; In ethanol; water; N,N-dimethyl-formamide;

Reference yield:

2-Chloro-5-bromo-4,6-dimethyl-pyrimidine (4786-72-5) → 4,6-dimethyl-5-bromopyrimidine (157335-97-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / hydrazine hydrate / ethanol / 3 h / Heating

2: 69 percent / AgAc, AcOH / H₂O / 2 h / 80 °C

With silver(I) acetate; hydrazine hydrate; acetic acid; In ethanol; water;

upstream raw materials:

2-hydrazino-4,6-dimethyl-5-bromopyrimidine

5-bromo-4,6-dimethyl-2(1H)-pyrimidinone

2-Chloro-5-bromo-4,6-dimethyl-pyrimidine

Downstream raw materials:

4,6-dimethylpyrimidine-5-carboxylic acid

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine

2-(4,6-dimethylpyrimidin-5-yl)-5-(furo[3,2-c]pyridin-4-yloxy)benzyl acetate

4-(4,6-dimethylpyrimidin-5-yl)-2,3-difluorophenol