5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidine

Base Information

• Chemical Name: 5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidine
• CAS No.: 478258-81-0
• Molecular Formula: C10H10 Br N3
• Molecular Weight: 252.113
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90390947
• Nikkaji Number: J2.809.822G
• Wikidata: Q72455073
• ChEMBL ID: CHEMBL1350858
• Mol file: 478258-81-0.mol

Synonyms:5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidine;478258-81-0;5-bromo-2-(2,5-dimethylpyrrol-1-yl)pyrimidine;Bionet2_000546;MLS000721360;SCHEMBL480289;CHEMBL1350858;DTXSID90390947;TQP0236;HMS1365I18;HMS2683H21;MFCD02082433;AKOS005071353;AB10660;SMR000335420;CS-0452759;FT-0647137;8P-927;A827354;4-(5-bromopyrimidin-2-yl)tetrahydro-2H-pyran-4-ol;J-516825;2-(2,5-Dimethyl-1H-pyrrole-1-yl)-5-bromopyrimidine

Chemical Property of 5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidine

Chemical Property:

• Vapor Pressure: 1.09E-06mmHg at 25°C
• Melting Point: 66-68°
• Boiling Point: 402.5oC at 760 mmHg
• Flash Point: 197.2oC
• PSA: 30.71000
• Density: 1.50
• LogP: 2.64660
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.00581
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1C2=NC=C(C=N2)Br)C

Technology Process of 5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidine

There total 2 articles about 5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidine 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: 91.0%

5-bromo-2-aminopyrimidine (7752-82-1) + 2,5-hexanedione (110-13-4) → 5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidine (478258-81-0)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 2h; Heating;

DOI:10.1021/jo801501e

Reference yield:

→ 5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidine (478258-81-0)

Guidance literature:

Reference yield: 82.0%

5-bromo-2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidine (478258-81-0) + benzyl alcohol (100-51-6,185532-71-2) → 2-N-(2,5-dimethylpyrrolo)-5-benzyloxypyrimidine (1083329-35-4)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; cesium bicarbonate; In toluene; at 110 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jo801501e

upstream raw materials:

5-bromo-2-aminopyrimidine

2,5-hexanedione

Downstream raw materials:

6-{1-[4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)pyrimidin-5-yl]phenyl]-1,2-dimethylpropyl}pyridin-3-ol

2-N-(2,5-dimethylpyrrolo)-5-benzyloxypyrimidine

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