2-Benzyl 1-tert-butyl (2S,4R)-4-[(2-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate

Base Information

Chemical Name:2-Benzyl 1-tert-butyl (2S,4R)-4-[(2-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate
CAS No.:402586-55-4
Molecular Formula:C₂₄H₂₆BrNO₅
Molecular Weight:488.378
Hs Code.:
DSSTox Substance ID:DTXSID60584952
Wikidata:Q82476723
Mol file:402586-55-4.mol

Synonyms:402586-55-4;2-Benzyl 1-tert-butyl (2S,4R)-4-[(2-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate;2-O-benzyl 1-O-tert-butyl (2S,4R)-4-[(2-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate;SCHEMBL14265389;DTXSID60584952

Suppliers and Price of 2-Benzyl 1-tert-butyl (2S,4R)-4-[(2-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate

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
Packaging
price

American Custom Chemicals Corporation
(4R)-BOC-4-(2-BROMOBENZYL)-PYR-OBZL 95.00%
500MG
$ 816.78

Total 1 raw suppliers

Chemical Property of 2-Benzyl 1-tert-butyl (2S,4R)-4-[(2-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate

Chemical Property:

Vapor Pressure:4.48E-14mmHg at 25°C
Refractive Index:1.584
Boiling Point:593.9°C at 760 mmHg
Flash Point:313°C
PSA：72.91000
Density:1.37g/cm³
LogP:4.82510
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:487.09944
Heavy Atom Count:31
Complexity:655

Purity/Quality:

97% ^*data from raw suppliers

(4R)-BOC-4-(2-BROMOBENZYL)-PYR-OBZL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1C(CC(C1=O)CC2=CC=CC=C2Br)C(=O)OCC3=CC=CC=C3
Isomeric SMILES:CC(C)(C)OC(=O)N1[C@@H](C[C@H](C1=O)CC2=CC=CC=C2Br)C(=O)OCC3=CC=CC=C3

Technology Process of 2-Benzyl 1-tert-butyl (2S,4R)-4-[(2-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate

There total 1 articles about 2-Benzyl 1-tert-butyl (2S,4R)-4-[(2-bromophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate 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: 86.0%

: 400626-71-3
2-benzyl 1-(tert-butyl) (R)-5-oxopyrrolidine-1,2-dicarboxylate

: 3433-80-5
1-Bromo-2-bromomethyl-benzene

: 402586-55-4
2-benzyl 1-(tert-butyl) (2R,4S)-4-(2-bromobenzyl)-5-oxopyrrolidine-1,2-dicarboxylate

Guidance literature:: 2-benzyl 1-(tert-butyl) (R)-5-oxopyrrolidine-1,2-dicarboxylate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

1-Bromo-2-bromomethyl-benzene; In tetrahydrofuran; at -78 ℃; for 2h; Inert atmosphere;

Reference yield:

: 402586-55-4
2-benzyl 1-(tert-butyl) (2R,4S)-4-(2-bromobenzyl)-5-oxopyrrolidine-1,2-dicarboxylate

: 2-benzyl 1-(tert-butyl) (2R,4S)-4-([1,1'-biphenyl]-2-ylmethyl)pyrrolidine-1,2-dicarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1.1: lithium triethylborohydride / tetrahydrofuran / -78 °C / Inert atmosphere

1.2: 0.5 h / 0 °C / Inert atmosphere

2.1: boron trifluoride diethyl etherate; triethylsilane / dichloromethane / 2.5 h / -78 °C / Inert atmosphere

3.1: caesium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / tetrahydrofuran; water / 4 h / 90 °C / Inert atmosphere

With triethylsilane; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; boron trifluoride diethyl etherate; lithium triethylborohydride; caesium carbonate; In tetrahydrofuran; dichloromethane; water;

Reference yield:

: 402586-55-4
2-benzyl 1-(tert-butyl) (2R,4S)-4-(2-bromobenzyl)-5-oxopyrrolidine-1,2-dicarboxylate

: 2-benzyl 1-(tert-butyl) (2R,4S)-4-(2-bromobenzyl)pyrrolidine-1,2-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium triethylborohydride / tetrahydrofuran / -78 °C / Inert atmosphere

1.2: 0.5 h / 0 °C / Inert atmosphere

2.1: boron trifluoride diethyl etherate; triethylsilane / dichloromethane / 2.5 h / -78 °C / Inert atmosphere

With triethylsilane; boron trifluoride diethyl etherate; lithium triethylborohydride; In tetrahydrofuran; dichloromethane;