(E)-4,4,5,5-Tetramethyl-2-(2-(thiophen-3-yl)vinyl)-1,3,2-dioxaborolane

Base Information

• Chemical Name: (E)-4,4,5,5-Tetramethyl-2-(2-(thiophen-3-yl)vinyl)-1,3,2-dioxaborolane
• CAS No.: 736987-75-0
• Molecular Formula: C12H17BO2S
• Molecular Weight: 236.143
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00584895
• Nikkaji Number: J3.173.199B,J3.659.615E
• Wikidata: Q82476641
• Mol file: 736987-75-0.mol

Synonyms:736987-75-0;E-2-(Thiophen-3-yl)vinylboronic acid pinacol ester;(E)-4,4,5,5-Tetramethyl-2-(2-(thiophen-3-yl)vinyl)-1,3,2-dioxaborolane;trans-2-(Thiophen-3-yl)vinylboronic acid pinacol ester;4,4,5,5-tetramethyl-2-[(E)-2-thiophen-3-ylethenyl]-1,3,2-dioxaborolane;4,4,5,5-TETRAMETHYL-2-[2-(THIOPHEN-3-YL)ETHENYL]-1,3,2-DIOXABOROLANE;4,4,5,5-Tetramethyl-2-[(E)-2-(thiophen-3-yl)ethenyl]-1,3,2-dioxaborolane;E-2-(Thiophen-3-yl)vinylboronic acid pinacol ester;SCHEMBL169314;DTXSID00584895;MIMMTIXICVRKJI-FNORWQNLSA-N;MFCD06659956;AKOS015893161;CS-0261836;EN300-802113;EN300-21585196;Z2044753733;trans-2-(Thiophen-3-yl)vinylboronic acid pinacol ester, 90%;4,4,5,5-Tetramethyl-2-(2-(thiophen-3-yl)vinyl)-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(E)-2-thiophen-3-ylvinyl]-1,3,2-dioxaborolane;1377152-37-8

Chemical Property of (E)-4,4,5,5-Tetramethyl-2-(2-(thiophen-3-yl)vinyl)-1,3,2-dioxaborolane

Chemical Property:

• Refractive Index: n20/D 1.5376
• Boiling Point: 106-108 °C/0.2 mmHg
• Flash Point: >110℃
• PSA: 46.70000
• Density: 1.073 g/mL at 25 °C
• LogP: 3.39270
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.1042311
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

97% ^*data from raw suppliers

trans-2-(Thiophen-3-yl)vinylboronic acid pinacol ester 90% ^*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)C=CC2=CSC=C2
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CSC=C2

Technology Process of (E)-4,4,5,5-Tetramethyl-2-(2-(thiophen-3-yl)vinyl)-1,3,2-dioxaborolane

There total 6 articles about (E)-4,4,5,5-Tetramethyl-2-(2-(thiophen-3-yl)vinyl)-1,3,2-dioxaborolane 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: 94.0%

3-ethynylthiophene (67237-53-0) + bis(pinacol)diborane (73183-34-3) → 4,4,5,5-tetramethyl-2-[(E)-2-(thiophen-3-yl)ethenyl]-1,3,2-dioxaborolane (736987-75-0)

Guidance literature:

With sodium methylate; Cu⁽²⁺⁾*4Cu⁽¹⁺⁾*4I^(1-)*2C₅H₃N₂O₂^(1-)*C₅H₅N*C₂H₇N*3C₃H₇NO; In ethanol; at 25 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.jcat.2021.09.033

Reference yield: 86.0%

3-ethynylthiophene (67237-53-0) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 4,4,5,5-tetramethyl-2-[(E)-2-(thiophen-3-yl)ethenyl]-1,3,2-dioxaborolane (736987-75-0)

Guidance literature:

With silver hexafluoroantimonate; In neat (no solvent); at 20 ℃; for 24h; stereoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1039/c8cc07499b

Reference yield: 75.0%

3-Bromothiophene (872-31-1) + pinacol vinylboronate (75927-49-0) → 4,4,5,5-tetramethyl-2-[(E)-2-(thiophen-3-yl)ethenyl]-1,3,2-dioxaborolane (736987-75-0)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; tri tert-butylphosphoniumtetrafluoroborate; In toluene; at 95 ℃; for 3h; Inert atmosphere;

DOI:10.1039/C6NJ03984G

upstream raw materials:

3-ethynylthiophene

bis(pinacol)diborane

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

3-Bromothiophene

Downstream raw materials:

3-fluoro-4-{7-methoxy-3-methyl-2-oxo-8-[(E)-2-thiophen-3-ylvinyl]-2,3-dihydroimidazo[4,5-c]quinolin-1-yl}benzonitrile

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