Benzopyrronium

Base Information

• Chemical Name: Benzopyrronium
• CAS No.: 13696-15-6
• Molecular Formula: Br*C₂₀H₂₄NO₃
• Molecular Weight: 406.319
• Hs Code.: 2933990090
• Mol file: 13696-15-6.mol

Synonyms:3-Hydroxy-1,1-dimethylpyrrolidiniumbromide, benzilate (7CI); Pyrrolidinium,3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl-, bromide (9CI); Pyrrolidinium,3-hydroxy-1,1-dimethyl-, bromide, benzilate (8CI);1,1-Dimethyl-3-hydroxypyrrolidinium bromide benzilate; Benzilic acid, esterwith 3-hydroxy-1,1-dimethylpyrrolidinium bromide; Benzopyrronium bromide

Chemical Property of Benzopyrronium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 46.53000
• Density: g/cm³
• LogP: -0.72280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzopyrronium

There total 3 articles about Benzopyrronium 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:

methyl bromide (74-83-9) + 1-methylpyrrolidin-3-yl 2-hydroxy-2,2-diphenylacetate (3608-68-2) → (±)-3-(2-hydroxy-2,2-diphenylacetoxy)-1,1-dimethylpyrrolidinium bromide (13696-15-6)

Guidance literature:

In tetrahydrofuran; acetonitrile; at 20 ℃; for 5h;

DOI:10.3389/fphar.2018.00344

Reference yield:

1-methyl-3-pyrrolidinol (13220-33-2,99445-21-3) + Benzilic acid (76-93-7) → (±)-3-(2-hydroxy-2,2-diphenylacetoxy)-1,1-dimethylpyrrolidinium bromide (13696-15-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1,1'-carbonyldiimidazole / N,N-dimethyl-formamide / 0.25 h / 20 °C

1.2: 18 h / 80 °C

2.1: acetonitrile; tetrahydrofuran / 5 h / 20 °C

With 1,1'-carbonyldiimidazole; In tetrahydrofuran; N,N-dimethyl-formamide; acetonitrile;

DOI:10.3389/fphar.2018.00344

Reference yield:

→ (±)-3-(2-hydroxy-2,2-diphenylacetoxy)-1,1-dimethylpyrrolidinium bromide (13696-15-6)

Guidance literature:

(1-Methyl-pyrrolidin-3-yl)-benzilat, Methylbromid in Propan-2-ol;

upstream raw materials:

methyl bromide

1-methylpyrrolidin-3-yl 2-hydroxy-2,2-diphenylacetate

1-methyl-3-pyrrolidinol

Benzilic acid

Refernces