[2-[(N-methylanilino)methyl]phenyl]boronic acid

Base Information

• Chemical Name: [2-[(N-methylanilino)methyl]phenyl]boronic acid
• CAS No.: 172940-58-8
• Molecular Formula: C14H16 B N O2
• Molecular Weight: 241.098
• DSSTox Substance ID: DTXSID40400707
• Nikkaji Number: J3.019.256G
• Wikidata: Q82203725
• Mol file: 172940-58-8.mol

Synonyms:172940-58-8;[2-[(N-methylanilino)methyl]phenyl]boronic acid;2-(N-METHYL-N-PHENYL)AMINOMETHYLBENZENEBORONIC ACID;Boronicacid, [2-[(methylphenylamino)methyl]phenyl]- (9CI);(2-((Methyl(phenyl)amino)methyl)phenyl)boronic acid;(2-{[Methyl(phenyl)amino]methyl}phenyl)boronic acid;starbld0019324;DTXSID40400707;AKOS009159286;AB15472;AS-70296;FT-0608878;2-[(Methylphenylamino)methyl]phenylboronic acid;D93302;Boronicacid,[2-[(methylphenylamino)methyl]phenyl]-(9ci)

Chemical Property of [2-[(N-methylanilino)methyl]phenyl]boronic acid

Chemical Property:

• PSA: 43.70000
• LogP: 1.00280
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 241.1274089
• Heavy Atom Count: 18
• Complexity: 244

Purity/Quality:

98%min ^*data from raw suppliers

2-(N-METHYL-N-PHENYL)AMINOMETHYLBENZENEBORONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1CN(C)C2=CC=CC=C2)(O)O

Technology Process of [2-[(N-methylanilino)methyl]phenyl]boronic acid

There total 2 articles about [2-[(N-methylanilino)methyl]phenyl]boronic acid 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: 60.0%

Trimethyl borate (121-43-7,63156-11-6) + 2-bromo-N-methyl-N-phenylbenzylamine (172940-57-7) → (2-([methyl(phenyl)amino]methyl)phenyl)boronic acid (172940-58-8)

Guidance literature:

With n-butyllithium; H₂O; In tetrahydrofuran; org. compound was lithiated at -78°, B(OMe)3 added at -78°C, hydrolyzed at room temp.; elem. anal.;

DOI:10.1039/c39940001083

Reference yield: 43.0%

2-formylbenzene boronic acid (40138-16-7) + N-methylaniline (100-61-8) → (2-([methyl(phenyl)amino]methyl)phenyl)boronic acid (172940-58-8) + 3H-benzo[c][1,2]oxaborol-1-ol (5735-41-1)

Guidance literature:

2-formylbenzene boronic acid; N-methylaniline; With acetic anhydride; In acetonitrile; at 0 ℃; for 3h; Molecular sieve;

With sodium tris(acetoxy)borohydride; In acetonitrile; at 0 ℃; for 0.166667h; Further stages; Molecular sieve;

DOI:10.1016/j.tetlet.2011.10.008

Reference yield:

(2-([methyl(phenyl)amino]methyl)phenyl)boronic acid (172940-58-8) + 4-sulfono-1-phenyldiazonium tetrafluoroborate → Na(1+)*(OH)2B(C6H4)CH2N(CH3)C6H4N2(C6H4)SO3(1-) = Na((OH)2B(C6H4)CH2N(CH3)C6H4N2(C6H4)SO3) (157330-05-7)

Guidance literature:

In acetic acid; at room temp.; cation exchange by column chromatography; elem. anal.;

DOI:10.1039/c39940001083

upstream raw materials:

Trimethyl borate

2-bromo-N-methyl-N-phenylbenzylamine

2-formylbenzene boronic acid

N-methylaniline

Downstream raw materials:

Na⁽¹⁺⁾*(OH)2B(C₆H₄)CH₂N(CH₃)C₆H₄N₂(C₆H₄)SO₃^(1-) = Na((OH)2B(C₆H₄)CH₂N(CH₃)C₆H₄N₂(C₆H₄)SO₃)

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