(2-((Methylamino)methyl)phenyl)boronic acid

Base Information

• Chemical Name: (2-((Methylamino)methyl)phenyl)boronic acid
• CAS No.: 365245-83-6
• Molecular Formula: C8H12BNO2
• Molecular Weight: 165
• DSSTox Substance ID: DTXSID90538185
• Nikkaji Number: J2.168.346I
• Wikidata: Q82413432
• Mol file: 365245-83-6.mol

Synonyms:(2-((Methylamino)methyl)phenyl)boronic acid;365245-83-6;2-((MethylaMino)Methyl)phenylboronic acid;[2-(methylaminomethyl)phenyl]boronic acid;{2-[(Methylamino)methyl]phenyl}boronic acid;C8H12BNO2;MFCD18453444;2-[(METHYLAMINO)METHYL]PHENYLBORONIC ACID;SCHEMBL902105;DTXSID90538185;AKOS006372008;SB76580;SY277114;N-methyl-o-(aminomethyl)phenylboronic acid;(2-((Methylamino)methyl)phenyl)boronicacid;CS-0151002;E76206;EN300-2512030;A935100

Chemical Property of (2-((Methylamino)methyl)phenyl)boronic acid

Chemical Property:

• Boiling Point: 328.3±44.0 °C(Predicted)
• PKA: 8.33±0.53(Predicted)
• PSA: 52.49000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: -0.52330
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.0961088
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

95% ^*data from raw suppliers

(2-((Methylamino)methyl)phenyl)boronicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1CNC)(O)O

Technology Process of (2-((Methylamino)methyl)phenyl)boronic acid

There total 3 articles about (2-((Methylamino)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: 91.0%

2-formylbenzene boronic acid (40138-16-7) + methylamine (74-89-5) → (2-((methylamino)methyl)phenyl)boronic acid (365245-83-6)

Guidance literature:

2-formylbenzene boronic acid; methylamine; With 4 A molecular sieve; In methanol; at 0 - 20 ℃; for 3.5h;

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.03.121

Reference yield: 50.0%

benzyl-methyl-amine (103-67-3) → (2-((methylamino)methyl)phenyl)boronic acid (365245-83-6)

Guidance literature:

benzyl-methyl-amine; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In diethyl ether; hexane; at -78 ℃; Inert atmosphere; Reflux;

With Trimethyl borate; In diethyl ether; hexane; at -78 - 20 ℃;

With water; In toluene;

DOI:10.1055/s-0030-1258554

Reference yield:

C10H16BNO2 → (2-((methylamino)methyl)phenyl)boronic acid (365245-83-6)

Guidance literature:

With methanol; water;

upstream raw materials:

2-formylbenzene boronic acid

methylamine

benzyl-methyl-amine

Downstream raw materials:

O(Cl(OH)C₆HCH₂N(CH₃)CH₂C₆H₄B(OH)2)2CC₆H₄C(O)O

N-methyl-2-aminomethylbiphenyl

2-((N-t-butoxycarbonyl-N-methyl)aminomethyl)phenylboronic acid

[2-amino-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]isoindolin-2-ylmethanone

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