(4-(Isopropylcarbamoyl)phenyl)boronic acid

Base Information

• Chemical Name: (4-(Isopropylcarbamoyl)phenyl)boronic acid
• CAS No.: 397843-67-3
• Molecular Formula: C10H14BNO3
• Molecular Weight: 207.037
• Hs Code.: 2931900090
• European Community (EC) Number: 801-169-0
• DSSTox Substance ID: DTXSID50378483
• Wikidata: Q72485718
• Mol file: 397843-67-3.mol

Synonyms:397843-67-3;(4-(Isopropylcarbamoyl)phenyl)boronic acid;4-(N-Isopropylaminocarbonyl)phenylboronic acid;4-(isopropylcarbamoyl)phenylboronic acid;4-(Isopropylcarbamoyl)benzeneboronic acid;[4-(propan-2-ylcarbamoyl)phenyl]boronic Acid;{4-[(Propan-2-yl)carbamoyl]phenyl}boronic acid;4-[(N-Isopropyl)aminocarbonyl]phenylboronic Acid;4-(N-ISOPROPYLAMINOCARBONYL)PHENYLBORONICACID;(4-(Isopropylcarbamoyl)phenyl)boronicacid;SCHEMBL4267117;DTXSID50378483;MFCD04039353;AKOS015838389;AB17353;AM86932;AS-55288;FT-0694248;I12552;A824730;4-(ISOPROPYLAMINOCARBONYL)PHENYLBORONIC ACID;4-(N-isopropylaminocarbonyl)phenylboronic acid, AldrichCPR

Chemical Property of (4-(Isopropylcarbamoyl)phenyl)boronic acid

Chemical Property:

• Melting Point: 162-167°C
• Refractive Index: 1.536
• PKA: 8.12±0.16(Predicted)
• PSA: 69.56000
• Density: 1.16 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: 213

Purity/Quality:

97% ^*data from raw suppliers

4-(N-Isopropylaminocarbonyl)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=C(C=C1)C(=O)NC(C)C)(O)O

Technology Process of (4-(Isopropylcarbamoyl)phenyl)boronic acid

There total 2 articles about (4-(Isopropylcarbamoyl)phenyl)boronic 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: 82.0%

4-carboxyphenylboronic acid (14047-29-1) + isopropylamine (75-31-0) → 4-(N-isopropylaminocarbonyl)phenylboronic acid (397843-67-3)

Guidance literature:

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

isopropylamine; With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

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

DOI:10.1021/jo0106501

Reference yield: 80.0%

→ 4-(N-isopropylaminocarbonyl)phenylboronic acid (397843-67-3)

Guidance literature:

Reference yield: 82.0%

4-[5-bromo-2-(dimethylamino)-3-pyridyl]benzonitrile + 4-(N-isopropylaminocarbonyl)phenylboronic acid (397843-67-3) → 4-[5-(4-cyanophenyl)-6-(dimethylamino)-3-pyridyl]-N-isopropyl-benzamide

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; water; at 100 ℃; for 2h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.bmcl.2019.05.032

upstream raw materials:

4-carboxyphenylboronic acid

isopropylamine

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