5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile

Base Information

Chemical Name:5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile
CAS No.:952675-93-3
Molecular Formula:C₁₇H₂₀BNO₂
Molecular Weight:281.162
Hs Code.:2934999090
DSSTox Substance ID:DTXSID50701717
Wikidata:Q82633482
Mol file:952675-93-3.mol

Synonyms:952675-93-3;5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-7,8-DIHYDRONAPHTHALENE-2-CARBONITRILE;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile;7,8-Dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Naphthalenecarbonitrile;starbld0017097;SCHEMBL731359;DTXSID50701717;AT35220;FT-0738150

Suppliers and Price of 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile

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

TRC
5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile
250mg
$ 165.00

Medical Isotopes, Inc.
5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile
250 mg
$ 650.00

Total 5 raw suppliers

Chemical Property of 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:369.06°C at 760 mmHg
Flash Point:177.001°C
PSA：42.25000
Density:1.107g/cm³
LogP:3.51928
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:281.1587090
Heavy Atom Count:21
Complexity:486

Purity/Quality:

97% ^*data from raw suppliers

5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile ^*data from reagent 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=CCCC3=C2C=CC(=C3)C#N
Uses 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile is a reactant used in the preparation of spiro-imidazo derivatives as aldosterone synthase inhibitors.

Technology Process of 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile

There total 2 articles about 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile 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:

: 952675-97-7
6-cyano-3,4-dihydronaphthalen-1-yl trifluoromethanesulphonate

: 73183-34-3
bis(pinacol)diborane

: 952675-93-3
5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile

Guidance literature:: With potassium phenolate; bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine; In toluene; at 50 ℃; for 4h;

Reference yield:

: 90401-84-6
6-cyano-1-tetralone

: 952675-93-3
5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-7,8-dihydronaphthalene-2-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 2,6-di-tert-butyl-4-methylpyridine / 16 h / 0 - 5 °C

2: potassium phenolate / bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine / toluene / 4 h / 50 °C

With 2,6-di-tert-butyl-4-methylpyridine; potassium phenolate; bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine; In toluene;