4,7-Dibromo-1,10-phenanthroline

Base Information

• Chemical Name: 4,7-Dibromo-1,10-phenanthroline
• CAS No.: 156492-30-7
• Molecular Formula: C12H6Br2N2
• Molecular Weight: 337.99700
• DSSTox Substance ID: DTXSID90464571
• Nikkaji Number: J876.731I
• Wikidata: Q82289951
• Mol file: 156492-30-7.mol

Synonyms:4,7-dibromo-1,10-phenanthroline;156492-30-7;1,10-Phenanthroline, 4,7-dibromo-;MFCD25562940;SCHEMBL2206337;DTXSID90464571;AKOS025117619;CS-W004598;DS-9506;SY106025;D4987;C72957;EN300-6744458

Chemical Property of 4,7-Dibromo-1,10-phenanthroline

Chemical Property:

• Melting Point: 236℃
• Boiling Point: 466.6±40.0 °C(Predicted)
• PKA: 3.29±0.10(Predicted)
• PSA: 25.78000
• Density: 1.915±0.06 g/cm3(Predicted)
• LogP: 4.30800
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 337.88772
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

4,7-Dibromo-1,10-phenanthroline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2C3=NC=CC(=C31)Br)Br

Technology Process of 4,7-Dibromo-1,10-phenanthroline

There total 6 articles about 4,7-Dibromo-1,10-phenanthroline 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: 70.0%

1,4,7,10-tetrahydro-1,10-phenanthroline-4,7-dione (87330-27-6) → 4,7-dibromo-1,10-phenanthroline (156492-30-7)

Guidance literature:

With phosphorus(V) oxybromide; In chloroform; for 6h; Inert atmosphere; Reflux;

Reference yield: 59.0%

cycl-isopropylidene malonate (2033-24-1) + 1,2-diamino-benzene (95-54-5) → 4,7-dibromo-1,10-phenanthroline (156492-30-7)

Guidance literature:

cycl-isopropylidene malonate; With methoxyacetaldehyde dimethylacetal; for 2h; Inert atmosphere; Reflux;

1,2-diamino-benzene; for 1h; Further stages; Reflux;

DOI:10.1002/cplu.201500346

Reference yield: 31.0%

1,10-phenanthroline-4,7-diol (3922-40-5) → 4,7-dibromo-1,10-phenanthroline (156492-30-7)

Guidance literature:

With phosphorus tribromide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1002/ejic.201700448

upstream raw materials:

1,4,7,10-tetrahydro-1,10-phenanthroline-4,7-dione

1,10-phenanthroline-4,7-diol

1,2-bis-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidenemethyl)amino]benzene

cycl-isopropylidene malonate

Downstream raw materials:

4,7-bis(phenylethinyl)-1,10-phenanthroline

C₈₀H₉₆N₂O₄

4-bromo-1,10-phenanthroline

4-p-bromophenyl-1,10-phenanthroline

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