1-[(4-Bromophenyl)methyl]-2-(1,3-dioxolan-2-yl)pyridin-1-ium bromide

Base Information

• Chemical Name: 1-[(4-Bromophenyl)methyl]-2-(1,3-dioxolan-2-yl)pyridin-1-ium bromide
• CAS No.: 1586-16-9
• Molecular Formula: Br*C₁₅H₁₅BrNO₂
• Molecular Weight: 401.098
• DSSTox Substance ID: DTXSID80597706

Synonyms:1586-16-9;SCHEMBL8888376;DTXSID80597706;1-[(4-Bromophenyl)methyl]-2-(1,3-dioxolan-2-yl)pyridin-1-ium bromide

Chemical Property of 1-[(4-Bromophenyl)methyl]-2-(1,3-dioxolan-2-yl)pyridin-1-ium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 400.94490
• Heavy Atom Count: 20
• Complexity: 275

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)C2=CC=CC=[N+]2CC3=CC=C(C=C3)Br.[Br-]

Technology Process of 1-[(4-Bromophenyl)methyl]-2-(1,3-dioxolan-2-yl)pyridin-1-ium bromide

There total 3 articles about 1-[(4-Bromophenyl)methyl]-2-(1,3-dioxolan-2-yl)pyridin-1-ium 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:

2-(1,3-dioxolan-2-yl)pyridine (5693-54-9) + 1-bromomethyl-4-bromobenzene (589-15-1) → 1-(p-bromobenzyl)-2-(1,3-dioxolan-2-yl)-pyridinium bromide (1586-16-9)

Guidance literature:

In sulfolane; ethyl acetate;

Reference yield:

pyridine-2-carbaldehyde (1121-60-4) → 1-(p-bromobenzyl)-2-(1,3-dioxolan-2-yl)-pyridinium bromide (1586-16-9)

Guidance literature:

Multi-step reaction with 2 steps

1: p-toluenesulfonic acid monohydrate / ethylene glycol; toluene

2: sulfolane; ethyl acetate

With p-toluenesulfonic acid monohydrate; In sulfolane; ethylene glycol; ethyl acetate; toluene;

Reference yield:

→ 1-(p-bromobenzyl)-2-(1,3-dioxolan-2-yl)-pyridinium bromide (1586-16-9)

Guidance literature:

DOI:10.1021/je60025a036

upstream raw materials:

2-(1,3-dioxolan-2-yl)pyridine

1-bromomethyl-4-bromobenzene

pyridine-2-carbaldehyde

Downstream raw materials:

9-bromobenzoquinolizinium bromide

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