2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester

Base Information

Chemical Name:2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester
CAS No.:1073354-59-2
Molecular Formula:C21H35BN2O5
Molecular Weight:406.324
Hs Code.:2934999090
DSSTox Substance ID:DTXSID80585966
Wikidata:Q82477985
Mol file:1073354-59-2.mol

Synonyms:2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester;2-[4-(tert-Butoxycarbonyl)piperazine-1-yl]phenylboronic acid

Suppliers and Price of 2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester

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

Total 23 raw suppliers

Chemical Property of 2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester

Chemical Property:

PSA：51.24000
LogP:3.04580
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:388.2533377
Heavy Atom Count:28
Complexity:551

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N3CCN(CC3)C(=O)OC(C)(C)C

Technology Process of 2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester

There total 3 articles about 2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester 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: 50.0%

: 494773-35-2
4-(2-bromophenyl)piperazine-1-carboxylic acid tert-butyl ester

: 73183-34-3
bis(pinacol)diborane

: 1073354-59-2
tert-butyl 4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate

Guidance literature:: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 80 ℃; for 24h; Inert atmosphere;
DOI:10.1016/j.bmcl.2020.127598

Reference yield:

: 583-53-9
2,3-dibromobenzene

: 1073354-59-2
tert-butyl 4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; potassium tert-butylate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / toluene / 24 h / 80 °C / Inert atmosphere

2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 24 h / 80 °C / Inert atmosphere

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium tert-butylate; potassium acetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; toluene; 1: |Buchwald-Hartwig Coupling / 2: |Miyaura Borylation Reaction;
DOI:10.1016/j.bmcl.2020.127598

Reference yield:

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 1073354-59-2
tert-butyl 4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; potassium tert-butylate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / toluene / 24 h / 80 °C / Inert atmosphere

2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 24 h / 80 °C / Inert atmosphere

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium tert-butylate; potassium acetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; toluene; 1: |Buchwald-Hartwig Coupling / 2: |Miyaura Borylation Reaction;
DOI:10.1016/j.bmcl.2020.127598