3-(N,N-Diethylaminocarbonyl)phenylboronic acid

Base Information

• Chemical Name: 3-(N,N-Diethylaminocarbonyl)phenylboronic acid
• CAS No.: 237413-05-7
• Molecular Formula: C₁₁H₁₆BNO₃
• Molecular Weight: 221.064
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID80395547
• Nikkaji Number: J2.277.279A
• Wikidata: Q82195689
• Mol file: 237413-05-7.mol

Synonyms:237413-05-7;3-(N,N-Diethylaminocarbonyl)phenylboronic acid;(3-(Diethylcarbamoyl)phenyl)boronic acid;[3-(diethylcarbamoyl)phenyl]boronic Acid;3-(diethylcarbamoyl)phenylboronic acid;3-(Diethylcarbamoyl)benzeneboronic acid;SCHEMBL1771787;DTXSID80395547;DDHUSSNOKNYLAI-UHFFFAOYSA-N;MFCD04115684;AKOS015838652;AB20391;PS-9606;N,N-Diethyl-3-(dihydroxyboryl)benzamide;CS-0152040;FT-0644084;[3-[diethylamino(oxo)methyl]phenyl]boronic acid;3-(DIETHYLAMINOCARBONYL)PHENYLBORONIC ACID;A816878;3-(N,N-diethylaminocarbonyl)phenylboronic acid, AldrichCPR;B-[3-[(DIETHYLAMINO)CARBONYL]PHENYL]-BORONIC ACID

Chemical Property of 3-(N,N-Diethylaminocarbonyl)phenylboronic acid

Chemical Property:

• Vapor Pressure: 2.18E-08mmHg at 25°C
• Melting Point: 132-136 °C
• Refractive Index: 1.54
• Boiling Point: 436.4 °C at 760 mmHg
• PKA: 7.95±0.10(Predicted)
• Flash Point: 217.7 °C
• PSA: 60.77000
• Density: 1.14 g/cm³
• LogP: -0.15160
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 221.1223235
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(N,N-Diethylaminocarbonyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(N,N-Diethylaminocarbonyl)phenylboronic acid

There total 2 articles about 3-(N,N-Diethylaminocarbonyl)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: 77.0%

3-Carboxyphenylboronic acid (25487-66-5) + diethylamine (109-89-7) → 3-(N,N-diethylaminocarbonyl)phenylboronic acid (237413-05-7)

Guidance literature:

3-Carboxyphenylboronic acid; With N,N-diethanolaminomethyl polystyrene; In tetrahydrofuran; at 20 ℃; for 1h;

diethylamine; With water; benzotriazol-1-ol; diisopropyl-carbodiimide; at 20 ℃; for 18h;

In tetrahydrofuran; water; at 20 ℃; for 0.0166667h; Further stages.;

DOI:10.1021/jo0106501

Reference yield: 77.0%

→ 3-(N,N-diethylaminocarbonyl)phenylboronic acid (237413-05-7)

Guidance literature:

upstream raw materials:

3-Carboxyphenylboronic acid

diethylamine

Refernces

• 1、 -. "Preparation and uses of conjugated solid supports for boronic acids". . . Retrieved 2008/06/13.