2,4-Dibromopyrimidine

Base Information

• Chemical Name: 2,4-Dibromopyrimidine
• CAS No.: 3921-01-5
• Molecular Formula: C4H2Br2N2
• Molecular Weight: 237.88
• Hs Code.: 2933599090
• European Community (EC) Number: 670-386-9
• DSSTox Substance ID: DTXSID40566372
• Nikkaji Number: J1.634.485K
• Wikidata: Q72464996
• Mol file: 3921-01-5.mol

Synonyms:2,4-Dibromopyrimidine;3921-01-5;2,4-Dibromo-pyrimidine;MFCD06798232;Pyrimidine, 2,4-dibromo-;dibromopyrimidine;SCHEMBL383108;2 pound not4-Dibromopyrimidine;DTXSID40566372;AOEHEEBFRCAFGC-UHFFFAOYSA-N;AKOS015835710;CS-W009107;PB17395;AS-18332;SY023700;AM20100033;A23376;EN300-111910;W-200583

Chemical Property of 2,4-Dibromopyrimidine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 65-67 °C
• Refractive Index: 1.615
• Boiling Point: 316.642°C at 760 mmHg
• PKA: -3.17±0.20(Predicted)
• Flash Point: 145.3°C
• PSA: 25.78000
• Density: 2.197
• LogP: 2.00160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 237.85642
• Heavy Atom Count: 8
• Complexity: 78.4

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dibromopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1Br)Br

Technology Process of 2,4-Dibromopyrimidine

There total 4 articles about 2,4-Dibromopyrimidine 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: 78.5%

uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) → 2,4-dibromo-pyrimidine (3921-01-5)

Guidance literature:

With phosphorus(V) oxybromide; at 125 ℃; for 2h; Temperature; Concentration;

Reference yield: 71.0%

2-bromopyrimidine (4595-60-2) → 2,4-dibromo-pyrimidine (3921-01-5)

Guidance literature:

2-bromopyrimidine; With 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex; In tetrahydrofuran; at -55 ℃; for 1.5h; Inert atmosphere;

With 1,2-dibromo-1,1,2,2-tetrachloroethane; In tetrahydrofuran; at -55 - 20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol800790g

Reference yield: 32.0%

2,6-Dichloropyrimidine (3934-20-1) → 2,4-dibromo-pyrimidine (3921-01-5)

Guidance literature:

With phosphorus tribromide; for 6h; Heating;

DOI:10.1021/jo010573+

upstream raw materials:

uracil

2,6-Dichloropyrimidine

2-bromopyrimidine

Downstream raw materials:

4-(2-bromopyrimidin-4-yl)morpholine

2-amino-4-bromopyrimidine

4-(4-bromopyrimidin-2-yl)morpholine

C₁₂H₁₉BrN₂