1-Benzyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate

Base Information

Chemical Name:1-Benzyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate
CAS No.:65976-16-1
Molecular Formula:Br*C₂₅H₃₂NO₃
Molecular Weight:474.438
Hs Code.:
DSSTox Substance ID:DTXSID60984458

Synonyms:AHR 479;1-Benzyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate;Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate;65976-16-1;DTXSID60984458;LS-138265;1-Benzyl-3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1-methylpyrrolidin-1-ium bromide

Suppliers and Price of 1-Benzyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 1-Benzyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:g/cm³
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:473.15656
Heavy Atom Count:30
Complexity:548

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC4=CC=CC=C4.[Br-]

Technology Process of 1-Benzyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate

There total 5 articles about 1-Benzyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate 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:

: 19833-96-6
2-Cyclopentyl-2-hydroxy-2-phenylacetic acid methyl ester

: 65976-16-1
1-benzyl-3-(2-cyclopentyl-2-hydroxy-2-phenylacetoxy)-1-methylpyrrolidinium bromide

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydroxide / water; methanol / 20 °C / Inert atmosphere

2.1: N,N-dimethyl-formamide / 20 h / 70 °C / Inert atmosphere

2.2: 24 h / 70 °C / Inert atmosphere

3.1: toluene / 2 h / Inert atmosphere

With sodium hydroxide; In methanol; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/op3001788

Reference yield:

: 427-49-6
2-cyclopentyl-2-hydroxy-2-phenylacetic acid

: 65976-16-1
1-benzyl-3-(2-cyclopentyl-2-hydroxy-2-phenylacetoxy)-1-methylpyrrolidinium bromide

Guidance literature:: Multi-step reaction with 2 steps

1.1: N,N-dimethyl-formamide / 20 h / 70 °C / Inert atmosphere

1.2: 24 h / 70 °C / Inert atmosphere

2.1: toluene / 2 h / Inert atmosphere

In N,N-dimethyl-formamide; toluene;
DOI:10.1021/op3001788

Reference yield:

: 15206-55-0
methyl 2-oxo-2-phenylacetate

: 65976-16-1
1-benzyl-3-(2-cyclopentyl-2-hydroxy-2-phenylacetoxy)-1-methylpyrrolidinium bromide

Guidance literature:: Multi-step reaction with 4 steps

1.1: iodine; magnesium / tetrahydrofuran / 0 °C / Reflux; Inert atmosphere

1.2: 10 - 20 °C / Inert atmosphere

2.1: sodium hydroxide / water; methanol / 20 °C / Inert atmosphere

3.1: N,N-dimethyl-formamide / 20 h / 70 °C / Inert atmosphere

3.2: 24 h / 70 °C / Inert atmosphere

4.1: toluene / 2 h / Inert atmosphere

With iodine; magnesium; sodium hydroxide; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide; toluene;
DOI:10.1021/op3001788