5-Isopropyl-2-methoxyphenylboronic acid

Base Information

• Chemical Name: 5-Isopropyl-2-methoxyphenylboronic acid
• CAS No.: 216393-63-4
• Molecular Formula: C₁₀H₁₅BO₃
• Molecular Weight: 194.038
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID40404609
• Wikidata: Q82208890
• Mol file: 216393-63-4.mol

Synonyms:216393-63-4;5-Isopropyl-2-methoxyphenylboronic acid;(5-Isopropyl-2-methoxyphenyl)boronic acid;5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID;(2-methoxy-5-propan-2-ylphenyl)boronic acid;[2-METHOXY-5-(PROPAN-2-YL)PHENYL]BORONIC ACID;Boronic acid, [2-methoxy-5-(1-methylethyl)phenyl]-;(2-methoxy-5-propan-2-yl-phenyl)boronic Acid;[2-Methoxy-5-(1-methylethyl)phenyl]boronic acid;SCHEMBL130864;DTXSID40404609;UTKAEAGLVJFBMK-UHFFFAOYSA-N;MFCD01318154;AKOS004116436;AB08654;2-methoxy-5-isopropylphenyl boronic acid;5-isopropyl-2-methoxy-phenylboronic acid;5-isopropyl-2-methoxybenzene boronic acid;AS-65248;5-isopropyl-2-methoxy-phenyl boronic acid;5-isopropyl-2-methoxy-benzene boronic acid;CS-0128569;FT-0620529;E78115;(1Z)-N-HYDROXY-2,2-DIPHENYLETHANIMIDAMIDE;?5-ISOPROPYL-2-METHOXYBENZENEBORONIC ACID;A815556

Chemical Property of 5-Isopropyl-2-methoxyphenylboronic acid

Chemical Property:

• Vapor Pressure: 1.69E-05mmHg at 25°C
• Melting Point: 85-87°C
• Refractive Index: 1.509
• Boiling Point: 350°Cat760mmHg
• PKA: 8.60±0.58(Predicted)
• Flash Point: 165.5°C
• PSA: 49.69000
• Density: 1.08g/cm³
• LogP: 0.49840
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.1114245
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

5-Isopropyl-2-methoxyphenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: B(C1=C(C=CC(=C1)C(C)C)OC)(O)O
• Uses: 5-Isopropyl-2-Methoxybenzeneboronic acid can be used as reactant involved in the synthesis of many biologically active molecules including Oxazolidinones for use as cholesteryl ester transfer protein inhibitors for atherosclerosis treatment; Selective quinazolinyl-phenol inhibitors of CHK1 as antitumor and radioprotectants; Biaryl-containing carbamates as CETP inhibitors and α -Sulfone hydroxamates as MMP inhibitors5Reactant involved in Suzuki-Miyaura cross coupling with 2-nitroarenediazonium tetrafluoroborate for synthesis of 2-nitrobiphenyls. Reactant involved in the synthesis of many biologically active molecules including:Oxazolidinones for use as cholesteryl ester transfer protein inhibitors for atherosclerosis treatmentSelective quinazolinyl-phenol inhibitors of CHK1 as antitumor and radioprotectantsBiaryl-containing carbamates as CETP inhibitorsα -Sulfone hydroxamates as MMP inhibitorsReactant involved in Suzuki-Miyaura cross coupling with 2-nitroarenediazonium tetrafluoroborate for synthesis of 2-nitrobiphenyls

Technology Process of 5-Isopropyl-2-methoxyphenylboronic acid

There total 1 articles about 5-Isopropyl-2-methoxyphenylboronic 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:

2-bromo-4-isopropyl-1-methoxybenzene (32229-19-9) → (5-isopropyl-2-methoxyphenyl)boronic acid (216393-63-4)

Guidance literature:

2-bromo-4-isopropyl-1-methoxybenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

With triisopropyl borate;

With hydrogenchloride; In water; ethyl acetate;

DOI:10.1021/jm400287v

Reference yield: 97.0%

methyl 4-({[(1,1-dimethylethyl)diphenylsilyl]oxy}methyl)-2-iodobenzoate (1610434-46-2) + (5-isopropyl-2-methoxyphenyl)boronic acid (216393-63-4) → methyl 5-(((tert-butyldiphenylsilyl)oxy)methyl)-5'-isopropyl-2'-methoxy-[1,1'-biphenyl]-2-carboxylate

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; water; at -78 - 100 ℃; Microwave irradiation; High pressure;

DOI:10.3390/molecules26133944

Reference yield: 87.0%

3-Chloroisocoumarin (51050-54-5) + (5-isopropyl-2-methoxyphenyl)boronic acid (216393-63-4) → C19H18O3

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; ruphos; In water; N,N-dimethyl-formamide; at 80 ℃; for 0.5h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tetlet.2014.12.114

upstream raw materials:

2-bromo-4-isopropyl-1-methoxybenzene

Downstream raw materials:

2-(hex-5-en-1-yloxy)-5-(5-isopropyl-2-methoxyphenyl)-1-methyl-1H-imidazole

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