N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Base Information

• Chemical Name: N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• CAS No.: 832114-08-6
• Molecular Formula: C₁₄H₂₂BNO₂
• Molecular Weight: 247.145
• Hs Code.: 2934999090
• European Community (EC) Number: 624-618-0
• DSSTox Substance ID: DTXSID00374435
• Wikidata: Q82163030
• Mol file: 832114-08-6.mol

Synonyms:832114-08-6;N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(Dimethylamino)phenylboronic acid pinacol ester;dimethyl[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine;2-(n,n-dimethylamino)phenylboronic acid, pinacol ester;2-DIMETHYLAMINOPHENYLBORONIC ACID, PINACOL ESTER;2-Dimethylaminophenylboronic acid pinacol ester;N,N-dimethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;SCHEMBL12538101;DTXSID00374435;AKOS015960104;AB22752;CS-W000976;DS-17408;FT-0644889;H10187;EN300-1674552;A840533;2-(Dimethylamino)phenylboronic acid pinacol ester, 97%;Dimethyl[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan -2-yl)phenyl]amine

Chemical Property of N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Chemical Property:

• Vapor Pressure: 9.54E-05mmHg at 25°C
• Melting Point: 50-54℃
• Boiling Point: 338.9°C at 760 mmHg
• PKA: 4.98±0.18(Predicted)
• Flash Point: >110°C
• PSA: 21.70000
• Density: 1.01g/cm³
• LogP: 2.05180
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.1743591
• Heavy Atom Count: 18
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

2-(Dimethylamino)phenylboronic acid pinacol ester ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N(C)C
• Uses: 2-Dimethylaminophenylboronic acid, pinacol ester

Technology Process of N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

There total 3 articles about N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline 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: 79.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + 2-(N,N-dimethylamino)phenylboronic acid (89291-23-6) → N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (832114-08-6)

Guidance literature:

With magnesium sulfate; In dichloromethane; for 3h;

DOI:10.1039/c0cc02117b

Reference yield: 67.0%

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (61676-62-8) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (832114-08-6)

Guidance literature:

N,N-dimethyl-aniline; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In hexane; at 0 - 20 ℃; for 20h; Inert atmosphere;

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1.25h; Inert atmosphere;

With chloro-trimethyl-silane; In tetrahydrofuran; hexane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/d0cc02567d

Reference yield:

N,N-dimethyl-aniline (121-69-7,77733-26-7) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → (4-(N,N-dimethylamino)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (171364-78-6) + N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (832114-08-6) + ethyl 6-(2-chloro-4-morpholinothieno[3,2-d]pyrimidin-6-ylamino)hexanoate (325142-87-8)

Guidance literature:

[RhCp*(C₆Me₆)]; at 150 ℃; for 3.5h; Title compound not separated from byproducts.;

DOI:10.1021/ja0013069

upstream raw materials:

N,N-dimethyl-aniline

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

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

2-(N,N-dimethylamino)phenylboronic acid

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