(2-Methoxy-5-(methoxycarbonyl)phenyl)boronic acid

Base Information

• Chemical Name: (2-Methoxy-5-(methoxycarbonyl)phenyl)boronic acid
• CAS No.: 221006-63-9
• Molecular Formula: C9H11BO5
• Molecular Weight: 209.994
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID10431568
• Wikidata: Q82245488
• Mol file: 221006-63-9.mol

Synonyms:221006-63-9;(2-Methoxy-5-(methoxycarbonyl)phenyl)boronic acid;METHYL 3-BORONO-4-METHOXYBENZOATE;2-Methoxy-5-methoxycarbonylphenylboronic acid;2-Methoxy-5-methoxycarbonylphenyboronic acid;(2-methoxy-5-methoxycarbonylphenyl)boronic acid;2-Methoxy-5-(methoxycarbonyl)benzeneboronic acid;[2-Methoxy-5-(methoxycarbonyl)phenyl]boronic acid;2-methoxy-5-(methoxycarbonyl)phenylboronic acid;(2-Methoxy-5-(methoxycarbonyl)phenyl)boronicacid;SCHEMBL1808835;DTXSID10431568;YMNSQEWMBIZWOA-UHFFFAOYSA-N;WIA00663;MFCD09800877;AKOS015851676;PS-9576;CS-0176120;FT-0698033;D71663;EN300-7366160;A878730

Chemical Property of (2-Methoxy-5-(methoxycarbonyl)phenyl)boronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.526
• Boiling Point: 408.263 °C at 760 mmHg
• PKA: 7.76±0.58(Predicted)
• Flash Point: 200.71 °C
• PSA: 75.99000
• Density: 1.27 g/cm³
• LogP: -0.83840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 210.0699536
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-Borono-4-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: B(C1=C(C=CC(=C1)C(=O)OC)OC)(O)O
• Uses: Methyl 3-Borono-4-methoxybenzoate is used in the preparation of biarylpropionic acid derivatives as cathepsin A inhibitors for use as pharmaceuticals.

Technology Process of (2-Methoxy-5-(methoxycarbonyl)phenyl)boronic acid

There total 1 articles about (2-Methoxy-5-(methoxycarbonyl)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: 60.0%

methanol (67-56-1) + 5-formyl-2-methoxyphenyl boronic acid (127972-02-5) → (2-methoxy-5-(methoxycarbonyl)phenyl)boronic acid (221006-63-9)

Guidance literature:

With tetradecyl(tributyl)phosphonium methanesulfonate; at 20 ℃; for 24h; Inert atmosphere; Electrolysis; Sealed tube; Green chemistry;

DOI:10.1002/chem.202005158

Reference yield: 71.0%

(2-methoxy-5-(methoxycarbonyl)phenyl)boronic acid (221006-63-9) + 4-bromo-6-(trifluoromethyl)-1H-indazole (1000342-95-9) → methyl 4-methoxy-3-(6-(trifluoromethyl)-1H-indazol-4-yl)benzoate (1454296-45-7)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate; In 1,4-dioxane; water; at 140 ℃; for 0.75h; Microwave irradiation;

Reference yield:

(2-methoxy-5-(methoxycarbonyl)phenyl)boronic acid (221006-63-9) + 3-chloro-6,7-dihydro-1,4-oxazepine-4(5H)-carbaldehyde → methyl 3-(4-formyl-4,5,6,7-tetrahydro-1,4-oxazepin-3-yl)-4-methoxybenzoate

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium hydrogencarbonate; In water; N,N-dimethyl-formamide; at 80 ℃;

upstream raw materials:

methanol

5-formyl-2-methoxyphenyl boronic acid

Downstream raw materials:

C₁₄H₁₄O₃S

4-methoxy-3-thiophen-2-yl-benzoic acid

methyl 4-methoxy-3-(6-(trifluoromethyl)-1H-indazol-4-yl)benzoate

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