5-(4-Bromophenyl)dipyrromethane

Base Information

• Chemical Name: 5-(4-Bromophenyl)dipyrromethane
• CAS No.: 159152-11-1
• Molecular Formula: C15H13BrN2
• Molecular Weight: 301.186
• DSSTox Substance ID: DTXSID90474216
• Nikkaji Number: J853.418G
• Mol file: 159152-11-1.mol

Synonyms:5-(4-BROMOPHENYL)DIPYRROMETHANE;159152-11-1;2-[(4-bromophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole;4-(DIPYRROL-2-YL)METHYLBROMOBENZENE;2,2'-((4-Bromophenyl)methylene)bis(1H-pyrrole);2,2'-[(4-Bromophenyl)methylene]bis(1H-pyrrole);4-bromophenyl dipyrromethane;SCHEMBL440120;DTXSID90474216;AKOS025394408;SB63663;CS-0447486;10.14272/SJDXTHJAKNMBFS-UHFFFAOYSA-N.1;1H-Pyrrole, 2,2'-[(4-bromophenyl)methylene]bis-;doi:10.14272/SJDXTHJAKNMBFS-UHFFFAOYSA-N.1;J-009569

Chemical Property of 5-(4-Bromophenyl)dipyrromethane

Chemical Property:

• Melting Point: 125-126 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 474.8±40.0 °C(Predicted)
• PKA: 16.81±0.50(Predicted)
• PSA: 31.58000
• Density: 1.465±0.06 g/cm3(Predicted)
• LogP: 4.28550
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 300.02621
• Heavy Atom Count: 18
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

5-(4-BROMOPHENYL)DIPYRROMETHANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=C1)C(C2=CC=C(C=C2)Br)C3=CC=CN3

Technology Process of 5-(4-Bromophenyl)dipyrromethane

There total 4 articles about 5-(4-Bromophenyl)dipyrromethane 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: 97.0%

pyrrole (109-97-7,30604-81-0) + 4-bromo-benzaldehyde (1122-91-4) → 5-(4-bromophenyl)dipyrromethane (159152-11-1)

Guidance literature:

With tetramethyl-tetra-3,4-pyridinoporphyrazinato copper(II) methyl sulfate; In water; at 20 ℃;

DOI:10.1016/j.jorganchem.2009.05.004

Reference yield: 92.0%

4-bromo-benzaldehyde (1122-91-4) → 5-(4-bromophenyl)dipyrromethane (159152-11-1)

Guidance literature:

4-bromo-benzaldehyde; With indium(III) chloride; pyrrole; for 1.5h;

With sodium hydroxide; for 0.75h;

Reference yield: 74.0%

pyrrole (109-97-7,30604-81-0) + (E)-N-(4-bromobenzylidene)-4-methylbenzenesulfonamide (254428-47-2) → N-((4-bromophenyl)(1H-pyrrol-2-yl)methyl)-4-methylbenzenesulfonamide + 5-(4-bromophenyl)dipyrromethane (159152-11-1)

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); at 100 ℃; for 6h;

DOI:10.1016/j.tet.2006.08.047

upstream raw materials:

pyrrole

4-bromo-benzaldehyde

(E)-N-(4-bromobenzylidene)-4-methylbenzenesulfonamide

Downstream raw materials:

5,10,15,20-tetrakis(p-bromophenyl)porphyrin

5-(4-bromophenyl)-10,15,20-tri-p-tolyl-porphyrin

1,9-diformyl-meso-(4-bromophenyl) dipyrromethane