1-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

Base Information

Chemical Name:1-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
CAS No.:937591-29-2
Molecular Formula:C17H24BNO3
Molecular Weight:301.193
Hs Code.:
DSSTox Substance ID:DTXSID70587818
Wikidata:Q82480311
Mol file:937591-29-2.mol

Synonyms:937591-29-2;1-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone;2-ACETYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE;1-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;SCHEMBL4312462;DTXSID70587818;VXTRXTCKXASTFR-UHFFFAOYSA-N;DA-29946;1-[7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one

Suppliers and Price of 1-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

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
2-ACETYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE 95.00%
5MG
$ 496.53

Total 1 raw suppliers

Chemical Property of 1-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

Chemical Property:

PSA：38.77000
LogP:1.82830
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:301.1849238
Heavy Atom Count:22
Complexity:435

Purity/Quality:: 2-ACETYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE 95.00% ^*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=CC3=C(CCN(C3)C(=O)C)C=C2

Technology Process of 1-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

There total 3 articles about 1-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone 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: 70.0%

: 937591-28-1
1-(7-bromo-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

: 73183-34-3
bis(pinacol)diborane

: 937591-29-2
1-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

Guidance literature:: With potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,2-dimethoxyethane; at 150 ℃; for 0.25h; Microwave;

Reference yield:

: 17680-55-6
7-bromo-1,2,3,4-tetrahydroisoquinoline

: 937591-29-2
1-(7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 2 h / 0 °C

2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 15 h / 100 °C / Inert atmosphere

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;