5-Bromo-2-phenylpyrimidine

Base Information

• Chemical Name: 5-Bromo-2-phenylpyrimidine
• CAS No.: 38696-20-7
• Molecular Formula: C10H7BrN2
• Molecular Weight: 235.083
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60559685
• Nikkaji Number: J1.753.626E
• Wikidata: Q82442484
• Mol file: 38696-20-7.mol

Synonyms:5-Bromo-2-phenylpyrimidine;38696-20-7;5-Bromo-2-phenyl-pyrimidine;MFCD09999220;Pyrimidine, 5-bromo-2-phenyl-;2-phenyl-5-bromopyrimidine;SCHEMBL1877775;DTXSID60559685;TQP0230;ZZKCBZDJCZZPSM-UHFFFAOYSA-N;AKOS015834664;AB55842;CS-W019047;DS-10670;SY112587;EN300-7361793;A873790;J-516992;Abbypharma ap-10-1680

Chemical Property of 5-Bromo-2-phenylpyrimidine

Chemical Property:

• Melting Point: 83-84 °C(Solv: ethyl acetate (141-78-6))
• Boiling Point: 232.138 °C at 760 mmHg
• PKA: -0.39±0.22(Predicted)
• Flash Point: 94.194 °C
• PSA: 25.78000
• Density: 1.494 g/cm³
• LogP: 2.90610
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.97926
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

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

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=C(C=N2)Br

Technology Process of 5-Bromo-2-phenylpyrimidine

There total 10 articles about 5-Bromo-2-phenylpyrimidine 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: 87.0%

5-bromo-2-iodopyrimidine (183438-24-6) + phenylboronic acid (98-80-6) → 2-phenyl-5-bromopyrimidine (38696-20-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate; In 1,4-dioxane; at 120 ℃; for 0.333333h; Inert atmosphere;

Reference yield: 60.0%

sodium salt of 5-bromo-2-phenylpyrimidine-4-hydroxamic acid → 2-phenyl-5-bromopyrimidine (38696-20-7) + 5-bromo-2-phenyl-pyrimidin-4-ylamine (26789-00-4)

Guidance literature:

In N,N-dimethyl-formamide; at 140 ℃; for 10h;

Reference yield: 43.0%

2,5-dibromopyrimidine (32779-37-6) + phenylboronic acid (98-80-6) → 2-phenyl-5-bromopyrimidine (38696-20-7) + 2,5-diphenylpyrimidine (29134-16-5)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 70 ℃; for 50h;

DOI:10.1039/b305870k

upstream raw materials:

5-bromo-2-phenyl-pyrimidine-4-carboxylic acid

5-bromo-2-iodopyrimidine

phenylboronic acid

2,5-dibromopyrimidine

Downstream raw materials:

(2E)-3-(2-Phenyl-5-pyrimidinyl)-2-propenoic Acid Methyl Ester

5-cyclopropyl-2-(2-phenylpyrimidin-5-ylamino)benzoic acid

5-(1-methyl-2-phenyl-1H-imidazol-5-yl)-2-phenylpyrimidine

C₁₆H₁₉BN₂O₂

Refernces

• 1、 -. "Material for organic light-emitting device and organic light-emitting device thereof". Paragraph 0096-0098. . Retrieved 2020/06/16.
• 2、 -. "ORGANOMETALLIC IRIDIUM COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE". Paragraph 0250; 0251-0253. . Retrieved 2017/02/23.