N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

Base Information

• Chemical Name: N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
• CAS No.: 480424-93-9
• Molecular Formula: C14H20BNO3
• Molecular Weight: 261.129
• Hs Code.: 29319090
• European Community (EC) Number: 624-816-7
• DSSTox Substance ID: DTXSID00378817
• Nikkaji Number: J3.001.504E
• Wikidata: Q82168394
• Mol file: 480424-93-9.mol

Synonyms:480424-93-9;N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide;3-Acetamidophenylboronic acid pinacol ester;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide;N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;3-Acetamidophenylboronic acid, pinacol estet;3-acetylaminophenylboronic acid, pinacol ester;3-acetamidophenylboronic acid, pinacol ester;3-(Acetamido)benzeneboronic acid pinacol ester;3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide;SCHEMBL561229;(3-ACETAMIDOPHENYL)BORONIC ACID PINACOL ESTER;DTXSID00378817;CZFSGYCLOCCASM-UHFFFAOYSA-N;N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;AMY29908;MFCD03789261;AKOS015894425;AB16128;AS-2607;CS-W009452;3-Acetylaminophenylboronic acid pinacol ester;FT-0644727;T3216;I10412;EN300-3270180;3-Acetamidophenylboronic acid pinacol ester, 97%;A827433;J-511503;Z1741960613;2-(3-Acetamidophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)acetoanilide;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-acetanilide;n-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetamide

Chemical Property of N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

Chemical Property:

• Vapor Pressure: 1.31E-07mmHg at 25°C
• Melting Point: 185-190 °C(lit.)
• Refractive Index: 1.51
• Boiling Point: 430.3 °C at 760 mmHg
• PKA: 15.23±0.70(Predicted)
• Flash Point: 214 °C
• PSA: 47.56000
• Density: 1.07 g/cm³
• LogP: 2.01720
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 261.1536237
• Heavy Atom Count: 19
• Complexity: 341

Purity/Quality:

97% ^*data from raw suppliers

3-Acetylaminophenylboronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)C
• Uses: suzuki reaction

Technology Process of N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

There total 9 articles about N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide 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: 93.0%

3-Chloroacetanilide (588-07-8) + bis(pinacol)diborane (73183-34-3) → N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide (480424-93-9)

Guidance literature:

With tris(trimethylphosphine)nickel(II) chloride; (2,2,2-trifluoroethoxy)trimethylsilane; cesium fluoride; In 1,4-dioxane; at 100 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol202267t

Reference yield: 91.9%

2,3-dimethyl-2,3-butane diol (76-09-5) + 3-Acetamidophenylboronic acid (78887-39-5) → N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide (480424-93-9)

Guidance literature:

In dichloromethane; at 20 ℃; for 10h;

DOI:10.3987/COM-09-S(S)129

Reference yield: 78.0%

acetic anhydride (108-24-7) + 3-aminophenylboronic acid pinacolate (210907-84-9) → N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide (480424-93-9)

Guidance literature:

at 80 ℃; for 12h;

upstream raw materials:

acetic anhydride

3-aminophenylboronic acid pinacolate

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

3-Acetamidophenylboronic acid

Downstream raw materials:

C₂₁H₁₇ClN₂O₃

N-methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

N-(3-(6-(1H-indazol-4-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)acetamide

N-ethyI-N-(3-(4,4,5,5-tetramethyI-1,3,2-dioxaboroIan-2-yl)phenyI)acetamide