5-Butyl phenanthridinium bromide

Base Information

• Chemical Name: 5-Butyl phenanthridinium bromide
• CAS No.: 118664-90-7
• Molecular Formula: Br*C₁₇H₁₈N
• Molecular Weight: 316.241
• DSSTox Substance ID: DTXSID90922747
• Mol file: 118664-90-7.mol

Synonyms:118664-90-7;5-Butyl phenanthridinium bromide;5-butylphenanthridin-5-ium bromide;DTXSID90922747

Chemical Property of 5-Butyl phenanthridinium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 315.06226
• Heavy Atom Count: 19
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1=CC2=CC=CC=C2C3=CC=CC=C31.[Br-]

Technology Process of 5-Butyl phenanthridinium bromide

There total 5 articles about 5-Butyl phenanthridinium bromide 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: 85.0%

2′-bromo-[1,1′-biphenyl]-2-carbaldehyde (75295-62-4) + N-butylamine (109-73-9,85404-21-3) → N-Butylphenanthridiniumbromid (118664-90-7)

Guidance literature:

With copper dichloride; In ethylene glycol; at 100 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.6b00269

Reference yield: 23.0%

1-bromo-butane (109-65-9) + phenanthridine (229-87-8) → N-Butylphenanthridiniumbromid (118664-90-7)

Guidance literature:

In nitromethane; for 5h; Heating;

DOI:10.1002/ardp.19883211104

Reference yield:

2-(2'-formylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (380151-85-9) → N-Butylphenanthridiniumbromid (118664-90-7)

Guidance literature:

Multi-step reaction with 2 steps

1: bis-triphenylphosphine-palladium(II) chloride; tripotassium phosphate "n" hydrate / toluene / 12 h / 100 °C / Schlenk technique; Inert atmosphere

2: copper dichloride / ethylene glycol / 24 h / 100 °C / Schlenk technique; Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; tripotassium phosphate "n" hydrate; copper dichloride; In ethylene glycol; toluene;

DOI:10.1021/acs.orglett.6b00269

upstream raw materials:

1-bromo-butane

phenanthridine

2′-bromo-[1,1′-biphenyl]-2-carbaldehyde

N-butylamine