4-(N-Ethylaminocarbonyl)phenylboronic acid

Base Information

• Chemical Name: 4-(N-Ethylaminocarbonyl)phenylboronic acid
• CAS No.: 850568-12-6
• Molecular Formula: C9H12BNO3
• Molecular Weight: 193.01
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50392225
• Wikidata: Q82190268
• Mol file: 850568-12-6.mol

Synonyms:4-(N-Ethylaminocarbonyl)phenylboronic acid;850568-12-6;4-(ethylcarbamoyl)phenylboronic acid;[4-(ethylcarbamoyl)phenyl]boronic Acid;4-(N-Ethylaminocarbonyl)phenylboronicacid;B-[4-[(ETHYLAMINO)CARBONYL]PHENYL]-BORONIC ACID;4-(N-Ethylaminocarbonyl)benzeneboronic acid;SCHEMBL387816;DTXSID50392225;DONAYSCOAAAZKS-UHFFFAOYSA-N;4-ethylcarbamoyl-phenylboronic acid;AMY15206;MFCD03411954;4-ethylaminocarbonyl-phenylboronic acid;AKOS006228250;AB14326;AS-30768;4-(N-ethylaminocarbonyl)phenyl-boronic acid;CS-0061527;FT-0685448;[4-(N-Ethylaminocarbonyl)phenyl]boronic acid;{4-[(ethylamino)carbonyl]phenyl}boronic acid;A853824;J-513795;4-(N-ethylaminocarbonyl)benzeneboronic acid, AldrichCPR

Chemical Property of 4-(N-Ethylaminocarbonyl)phenylboronic acid

Chemical Property:

• Melting Point: 143-146 °C
• Refractive Index: 1.545
• PSA: 69.56000
• Density: 1.19 g/cm³
• LogP: -0.49300
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.0910234
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

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

4-(N-Ethylaminocarbonyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(N-Ethylaminocarbonyl)phenylboronic acid

There total 1 articles about 4-(N-Ethylaminocarbonyl)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:

ethylamine (75-04-7,85404-22-4) + (4-(chlorocarbonyl)phenyl)boronic acid (332154-57-1) → 4-(N-ethylaminocarbonyl)phenylboronic acid (850568-12-6)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2021.132373

Reference yield: 78.0%

1,8-diiodonaphthalene (1730-04-7) + 4-(N-ethylaminocarbonyl)phenylboronic acid (850568-12-6) → 1,8-bis(4-(N-ethylaminocarbonyl)phenyl)naphthalene

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 85 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tet.2021.132373

Reference yield:

4-(N-ethylaminocarbonyl)phenylboronic acid (850568-12-6) + 3-(4-bromophenoxy)-1-(4-trifluoromethylbenzyl)azetidine (1146157-64-3) → 4'-[1-(4-trifluoromethylbenzyl)azetidin-3-yloxy]biphenyl-4-carboxylic acid ethylamide (1146156-91-3)

Guidance literature:

With caesium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; water; at 90 ℃; for 16h;

upstream raw materials:

ethylamine

(4-(chlorocarbonyl)phenyl)boronic acid

Downstream raw materials:

4'-[1-(4-trifluoromethylbenzyl)azetidin-3-yloxy]biphenyl-4-carboxylic acid ethylamide

C₂₀H₁₈N₄O₂

4-[5-(4-ethylcarbamoyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester

Refernces