Boronic acid, B-[2-bromo-5-(1,1-dimethylethyl)phenyl]-

Base Information

Chemical Name:Boronic acid, B-[2-bromo-5-(1,1-dimethylethyl)phenyl]-
CAS No.:916747-52-9
Molecular Formula:C10H14BBrO2
Molecular Weight:256.935
Hs Code.:
DSSTox Substance ID:DTXSID20475498

Synonyms:916747-52-9;(2-Bromo-5-(tert-butyl)phenyl)boronic acid;Boronic acid, B-[2-bromo-5-(1,1-dimethylethyl)phenyl]-;(2-bromo-5-tert-butylphenyl)boronic acid;starbld0019305;2-Bromo-5-(tert-butyl)phenylboronic Acid;DTXSID20475498;MFCD28167212;SY291365

Suppliers and Price of Boronic acid, B-[2-bromo-5-(1,1-dimethylethyl)phenyl]-

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 3 raw suppliers

Chemical Property of Boronic acid, B-[2-bromo-5-(1,1-dimethylethyl)phenyl]-

Chemical Property:

Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:256.02702
Heavy Atom Count:14
Complexity:191

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:B(C1=C(C=CC(=C1)C(C)(C)C)Br)(O)O

Technology Process of Boronic acid, B-[2-bromo-5-(1,1-dimethylethyl)phenyl]-

There total 4 articles about Boronic acid, B-[2-bromo-5-(1,1-dimethylethyl)phenyl]- 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%

: 916747-51-8
1-bromo-4-tert-butyl-2-iodobenzene1-bromo-4-tert-butyl-2-iodobenzene

: 916747-52-9
(2-bromo-5-tert-butylphenyl)boronic acid

Guidance literature:: 1-bromo-4-tert-butyl-2-iodobenzene1-bromo-4-tert-butyl-2-iodobenzene; With isopropylmagnesium bromide; In tetrahydrofuran; diethyl ether; at -78 ℃; for 2h;

With Triisopropyl borate; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; water; at 20 ℃; for 0.5h;
DOI:10.1021/jo0613939

Reference yield:

: 3972-65-4
1-bromo-4-tert-butylbenzene

: 916747-52-9
(2-bromo-5-tert-butylphenyl)boronic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: 92 percent / sulfuric acid; nitric acid / 20 h / 20 °C

2.1: 81 percent / Na₂S₂O₄ / 1,2-dimethoxy-ethane; H₂O / 6 h / Heating

3.1: NaNO₂; hydrochloric acid / H₂O / 0.17 h / cooling

3.2: 80 percent / potassium iodide / H₂O / 0.5 h / 50 - 80 °C

4.1: isopropylmagnesium bromide / tetrahydrofuran; diethyl ether / 2 h / -78 °C

4.2: B(OiPr)3 / tetrahydrofuran; diethyl ether / -78 - 20 °C

4.3: 86 percent / HCl / tetrahydrofuran; diethyl ether; H₂O / 0.5 h / 20 °C

With hydrogenchloride; sodium dithionite; sulfuric acid; isopropylmagnesium bromide; nitric acid; sodium nitrite; In tetrahydrofuran; 1,2-dimethoxyethane; diethyl ether; water;
DOI:10.1021/jo0613939

Reference yield:

: 70729-05-4
1-Bromo-4-tert-butyl-2-nitro-benzene

: 916747-52-9
(2-bromo-5-tert-butylphenyl)boronic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: 81 percent / Na₂S₂O₄ / 1,2-dimethoxy-ethane; H₂O / 6 h / Heating

2.1: NaNO₂; hydrochloric acid / H₂O / 0.17 h / cooling

2.2: 80 percent / potassium iodide / H₂O / 0.5 h / 50 - 80 °C

3.1: isopropylmagnesium bromide / tetrahydrofuran; diethyl ether / 2 h / -78 °C

3.2: B(OiPr)3 / tetrahydrofuran; diethyl ether / -78 - 20 °C

3.3: 86 percent / HCl / tetrahydrofuran; diethyl ether; H₂O / 0.5 h / 20 °C

With hydrogenchloride; sodium dithionite; isopropylmagnesium bromide; sodium nitrite; In tetrahydrofuran; 1,2-dimethoxyethane; diethyl ether; water;
DOI:10.1021/jo0613939