2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)isoindoline-1,3-dione

Base Information

• Chemical Name: 2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)isoindoline-1,3-dione
• CAS No.: 214360-75-5
• Molecular Formula: C₂₁H₂₂BNO₄
• Molecular Weight: 363.221
• Hs Code.: 2934999090
• European Community (EC) Number: 805-572-2
• DSSTox Substance ID: DTXSID60378555
• Wikidata: Q82168041
• Mol file: 214360-75-5.mol

Synonyms:214360-75-5;2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)isoindoline-1,3-dione;(3-PHTHALIMIDOMETHYLPHENYL)BORONIC ACID PINACOL ESTER;2-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-isoindole-1,3-dione;(3-Phthalimidomethylphenyl)boronic acid, pinacol ester;2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione;SCHEMBL1684370;DTXSID60378555;MFCD02179490;AKOS015999224;AB11251;AS-2525;CS-0153842;D94919;(3-Phthalimidomethylphenyl)boronic acid,pinacol ester;(3-Phthalimidomethylphenyl)boronic acid pinacol ester, AldrichCPR;2-{[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1H-isoindole-1,3(2H)-dione;2-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

Chemical Property of 2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)isoindoline-1,3-dione

Chemical Property:

• Vapor Pressure: 1.23E-10mmHg at 25°C
• Boiling Point: 513°C at 760 mmHg
• PKA: -2.26±0.20(Predicted)
• Flash Point: 264.1°C
• PSA: 55.84000
• Density: 1.23g/cm³
• LogP: 2.71990
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 363.1641883
• Heavy Atom Count: 27
• Complexity: 579

Purity/Quality:

97% ^*data from raw suppliers

2-[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-isoindole-1,3-dione ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

Technology Process of 2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)isoindoline-1,3-dione

There total 7 articles about 2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)isoindoline-1,3-dione 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:

C14H21BO5S + potassium phtalimide (1074-82-4) → 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]isoindoline-1,3-dione (214360-75-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 72h;

DOI:10.3390/molecules181012346

Reference yield:

2-(3-bromobenzyl)isoindoline-1,3-dione (183735-18-4) + bis(pinacol)diborane (73183-34-3) → 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]isoindoline-1,3-dione (214360-75-5)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 80 ℃; for 16h; Inert atmosphere;

Reference yield:

(3‐(4,4,5,5‐tetramethyl‐1,3,2‐dioxaborolan‐2‐yl)phenyl)methanol (443776-76-9) → 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]isoindoline-1,3-dione (214360-75-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 3 h / 0 °C / Inert atmosphere

2: potassium carbonate / N,N-dimethyl-formamide / 72 h / 20 °C

With potassium carbonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.3390/molecules181012346

upstream raw materials:

(3‐(4,4,5,5‐tetramethyl‐1,3,2‐dioxaborolan‐2‐yl)phenyl)methanol

3-Formylphenylboronic acid

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarboxaldehyde

2,3-dimethyl-2,3-butane diol

Downstream raw materials:

(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine

N-cyclohexyl-2-phenyl-2-{N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]acetamido}acetamide

[3-({N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]acetamido}methyl)phenyl]boronic acid

2-[N-([1,1'-biphenyl]-3-ylmethyl)acetamido]-N-cyclohexyl-2-phenylacetamide

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