3-(N-Isopropylaminocarbonyl)benzeneboronic acid

Base Information

• Chemical Name: 3-(N-Isopropylaminocarbonyl)benzeneboronic acid
• CAS No.: 397843-69-5
• Molecular Formula: C10H14BNO3
• Molecular Weight: 207.037
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50397371
• Wikidata: Q72485720
• Mol file: 397843-69-5.mol

Synonyms:397843-69-5;3-(isopropylcarbamoyl)phenylboronic acid;3-(N-ISOPROPYLAMINOCARBONYL)BENZENEBORONIC ACID;3-(N-Isopropylaminocarbonyl)phenylboronic acid;3-(Isopropylcarbamoyl)benzeneboronic acid;[3-(propan-2-ylcarbamoyl)phenyl]boronic Acid;[3-(N-Isopropylaminocarbonyl)phenyl]boronic acid;MFCD04115690;(3-(Isopropylcarbamoyl)phenyl)boronic acid;[3-(isopropylcarbamoyl)phenyl]boronic acid;{3-[(propan-2-yl)carbamoyl]phenyl}boronic acid;(3-(n-isopropylaminocarbonyl)phenyl)boronic acid;3-[(N-Isopropyl)aminocarbonyl]phenylboronic Acid;SCHEMBL177725;DTXSID50397371;QDCRYXCSQKAWNM-UHFFFAOYSA-N;AMY29860;AKOS005256310;AB20404;PS-9640;3-(isopropylcarbamoyl)phenyl boronic acid;CS-0174264;FT-0749873;F76934;3-(N-isopropylaminocarbonyl)benzene boronic acid;A824731;3-(N-ISOPROPYLAMINOCARBONYL)BENZENEBORONICACID;3-(N-isopropylaminocarbonyl)phenylboronic acid, AldrichCPR

Chemical Property of 3-(N-Isopropylaminocarbonyl)benzeneboronic acid

Chemical Property:

• Melting Point: 252-260 °C
• Refractive Index: 1.536
• PSA: 69.56000
• Density: 1.163 g/cm³
• LogP: -0.10450
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.1066735
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(N-Isopropylaminocarbonyl)benzeneboronic acid

There total 2 articles about 3-(N-Isopropylaminocarbonyl)benzeneboronic 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: 63.0%

→ 3-iso-propylaminocarbonylphenylboronic acid (397843-69-5)

Guidance literature:

Reference yield: 56.0%

3-Carboxyphenylboronic acid (25487-66-5) + isopropylamine (75-31-0) → 3-iso-propylaminocarbonylphenylboronic acid (397843-69-5)

Guidance literature:

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

isopropylamine; 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:

3-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine (1003298-71-2) + 3-iso-propylaminocarbonylphenylboronic acid (397843-69-5) → 3-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-N-isopropyl-benzamide

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine; In 1,4-dioxane; water; at 100 ℃; for 1.75h;

upstream raw materials:

3-Carboxyphenylboronic acid

isopropylamine

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