3-(Morpholinomethyl)phenylboronic acid

Base Information

• Chemical Name: 3-(Morpholinomethyl)phenylboronic acid
• CAS No.: 397843-58-2
• Molecular Formula: C11H16BNO3
• Molecular Weight: 221.064
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00452626
• Nikkaji Number: J1.694.620F
• Wikidata: Q82273375
• Mol file: 397843-58-2.mol

Synonyms:397843-58-2;3-(Morpholinomethyl)phenylboronic acid;(3-(Morpholinomethyl)phenyl)boronic acid;[3-(morpholin-4-ylmethyl)phenyl]boronic Acid;Boronic acid, [3-(4-morpholinylmethyl)phenyl]-;Penn Chem-GAM_002;SCHEMBL875822;PSP002;DTXSID00452626;VTSDPGUSDVMXDN-UHFFFAOYSA-N;AMY32748;MFCD08060623;AKOS005175031;(3-(Morpholinomethyl)phenyl)boronicacid;DS-18079;CS-0060387;FT-0684194;EN300-242052;F30130;{3-[(morpholin-4-yl)methyl]phenyl}boronic acid;3-(morpholinomethyl)phenylboronic acid, AldrichCPR;A873566;Boronic acid, [3-(4-MorpholinylMethyl)phenyl]- (9CI)

Chemical Property of 3-(Morpholinomethyl)phenylboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 394.611 °C at 760 mmHg
• Flash Point: 192.454 °C
• PSA: 52.93000
• Density: 1.208 g/cm³
• LogP: -0.86350
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 221.1223235
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

[3-(4-morpholinylmethyl)phenyl]boronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)CN2CCOCC2)(O)O

Technology Process of 3-(Morpholinomethyl)phenylboronic acid

There total 3 articles about 3-(Morpholinomethyl)phenylboronic 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: 90.0%

→ [3-(morpholin-4-ylmethyl)phenyl]boronic acid (397843-58-2)

Guidance literature:

Reference yield: 81.0%

morpholine (110-91-8,99108-56-2) + (3-(bromomethyl)phenyl)boronic acid (51323-43-4) → [3-(morpholin-4-ylmethyl)phenyl]boronic acid (397843-58-2)

Guidance literature:

(3-(bromomethyl)phenyl)boronic acid; With N,N-diethanolaminomethyl polystyrene; In dichloromethane; at 20 ℃; for 1.66667h;

morpholine; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 5h;

In tetrahydrofuran; water; at 20 ℃; Further stages.;

DOI:10.1021/jo0106501

Reference yield: 64.0%

potassium 3-(morpholinomethyl)-phenyltrifluoroborate (1025113-70-5) → [3-(morpholin-4-ylmethyl)phenyl]boronic acid (397843-58-2)

Guidance literature:

With water; silica gel; In ethyl acetate; at 20 ℃; for 3h;

DOI:10.1021/jo901441u

upstream raw materials:

morpholine

(3-(bromomethyl)phenyl)boronic acid

potassium 3-(morpholinomethyl)-phenyltrifluoroborate

Downstream raw materials:

C₂₀H₂₀N₆O

3-(1-isopropyltriazol-4-yl)-5-[3-(morpholinomethyl)phenyl]pyridin-2-amine

3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-[3-(morpholinomethyl)phenyl]pyridin-2-amine