4-[(Diethylamino)methyl]phenylboronic acid

Base Information

• Chemical Name: 4-[(Diethylamino)methyl]phenylboronic acid
• CAS No.: 220999-48-4
• Molecular Formula: C₁₁H₁₈BNO₂
• Molecular Weight: 207.08
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID00400728
• Wikidata: Q82203747
• Mol file: 220999-48-4.mol

Synonyms:220999-48-4;4-[(diethylamino)methyl]phenylboronic acid;(4-((diethylamino)methyl)phenyl)boronic acid;[4-(diethylaminomethyl)phenyl]boronic Acid;4-((diethylamino)methyl)phenylboronic acid;4-(N,N-DIETHYLAMINOMETHYL)BENZENEBORONIC ACID;{4-[(Diethylamino)methyl]phenyl}boronic acid;MFCD04039019;4-(N,N-DIETHYLAMINOMETHYL)PHENYLBORONIC ACID;4-[(Diethylamino)methyl]phenylboronicAcid;DTXSID00400728;AKOS004116360;AB17269;AM86768;CS-11416;SY019883;CS-0176008;FT-0711865;I12321;A878731

Chemical Property of 4-[(Diethylamino)methyl]phenylboronic acid

Chemical Property:

• Boiling Point: 327.8°Cat760mmHg
• Flash Point: 152.1°C
• PSA: 43.70000
• Density: 1.05g/cm³
• LogP: 0.20820
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 207.1430590
• Heavy Atom Count: 15
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

4-(N,N-Diethylaminomethyl)benzeneboronicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-[(Diethylamino)methyl]phenylboronic acid

There total 1 articles about 4-[(Diethylamino)methyl]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:

4-formylphenylboronic acid, (87199-17-5) + diethylamine (109-89-7) → C11H18BNO2 (220999-48-4)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1016/j.bmcl.2010.11.061

Reference yield:

C11H18BNO2 (220999-48-4) + C16H19BrN2O3S2 (1266375-43-2) → C27H35N3O3S2 (1266375-45-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; lithium chloride; In ethanol; toluene; at 130 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.bmcl.2010.11.061

upstream raw materials:

4-formylphenylboronic acid,

diethylamine

Downstream raw materials:

C₂₇H₃₅N₃O₃S₂

Refernces