(2-(Aminomethyl)phenyl)boronic acid

Base Information

• Chemical Name: (2-(Aminomethyl)phenyl)boronic acid
• CAS No.: 248274-03-5
• Molecular Formula: C7H10 B N O2
• Molecular Weight: 150.973
• Hs Code.: 2931900090
• European Community (EC) Number: 899-681-2
• DSSTox Substance ID: DTXSID40586015
• Nikkaji Number: J2.656.639H
• Wikidata: Q82478043
• Mol file: 248274-03-5.mol

Synonyms:(2-(Aminomethyl)phenyl)boronic acid;248274-03-5;2-(aminomethyl)phenylboronic acid;[2-(aminomethyl)phenyl]boronic acid;2-(AMINOMETHYL)PHENYL BORONIC ACID;2-aminomethylphenylboronic acid;Boronic acid, B-[2-(aminomethyl)phenyl]-;MFCD06212997;(2-(Aminomethyl)phenyl)boronicacid;SCHEMBL1439462;DTXSID40586015;NXIUTNQGRDQRHA-UHFFFAOYSA-N;2-(aminomethyl) phenylboronic acid;AKOS006350874;AM86802;CS-W019371;DS-4246;SB76466;2-(AMINOMETHYL)PHENYLBORONICACID;SY108340;EN300-1720064

Chemical Property of (2-(Aminomethyl)phenyl)boronic acid

Chemical Property:

• Boiling Point: 354.0±44.0 °C(Predicted)
• PKA: 8.23±0.53(Predicted)
• PSA: 66.48000
• Density: 1.18±0.1 g/cm3(Predicted)
• LogP: -0.47460
• 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: 2
• Exact Mass: 151.0804587
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

97% ^*data from raw suppliers

2-AminomethylphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2-(Aminomethyl)phenyl)boronic acid

There total 2 articles about (2-(Aminomethyl)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: 48.7%

2-Cyanophenylboronic acid (138642-62-3) → 2-(aminomethyl)phenylboronic acid (248274-03-5)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 4h; under 2585.81 Torr;

Reference yield:

2-(azidomethyl)phenylboronic acid (745835-05-6) → 2-(aminomethyl)phenylboronic acid (248274-03-5)

Guidance literature:

With triphenylphosphine; In methanol; water;

Reference yield: 88.0%

2-(aminomethyl)phenylboronic acid (248274-03-5) + (S)-2-{[3-(5-bromo-2,3-dihydrobenzofuran-7-sulfonylamino)thiophene-2-carbonyl]amino}-5-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonylguanidino)pentanoic acid (1268618-45-6) → C39H46N6O9S3

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 90 ℃; for 0.166667h; Inert atmosphere; Microwave irradiation;

DOI:10.1021/acs.jmedchem.8b00210

upstream raw materials:

2-(azidomethyl)phenylboronic acid

2-Cyanophenylboronic acid

Downstream raw materials:

2-((tert-butoxycarbonylamino)methyl)phenylboronic acid

2-{[3-(4-nitrophenyl)ureido]methyl}phenylboronic acid

2-{[3-(4-nitrophenyl)thioureido]methyl}phenylboronic acid