4-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-3-butene-2-one

Base Information

Chemical Name:4-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-3-butene-2-one
CAS No.:700846-06-6
Molecular Formula:C₁₆H₂₁BO₃
Molecular Weight:272.152
Hs Code.:
DSSTox Substance ID:DTXSID50458072
Nikkaji Number:J2.055.051A
Wikidata:Q82281207

Synonyms:D-1427;DTXSID50458072;700846-06-6;4-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-3-butene-2-one

Suppliers and Price of 4-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-3-butene-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-3-butene-2-one

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:272.1583747
Heavy Atom Count:20
Complexity:385

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C=CC(=O)C
Isomeric SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2/C=C/C(=O)C

Technology Process of 4-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-3-butene-2-one

There total 2 articles about 4-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-3-butene-2-one 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: 82.0%

: 1439-36-7
1-triphenylphosphoranylidene-2-propanone

: 380151-85-9
2-(2'-formylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 700846-06-6
(E)-4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)but-3-en-2-one

Guidance literature:: In toluene; at 90 ℃; for 18h;
DOI:10.1021/jo049874k

Reference yield:

: 76-09-5
2,3-dimethyl-2,3-butane diol

: 700846-06-6
(E)-4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)but-3-en-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / benzene / 5 h / Heating

2: 82 percent / toluene / 18 h / 90 °C

In toluene; benzene; 2: Wittig reaction;
DOI:10.1021/jo049874k

Reference yield:

: 3,3-diisopropyl-1-(phenylethynyl)triaz-1-ene

: 700846-06-6
(E)-4-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)but-3-en-2-one

: 1-(3-(3,3-diisopropyltriaz-1-en-1-yl)-2-phenyl-1H-inden-1-yl)-propan-2-one

: C₂₄H₂₉N₃O

Guidance literature:: 3,3-diisopropyl-1-(phenylethynyl)triaz-1-ene; With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 0.0833333h;

(2-acetylphenyl)boronic acid; In 1,4-dioxane; water; at 100 ℃; for 0.75h; Overall yield = 40percent; Overall yield = 60 mg; regioselective reaction; Sealed tube; Microwave irradiation;
DOI:10.1002/ejoc.202000195