(4-(Methoxycarbonyl)-3-Methylphenyl)boronic acid

Base Information

• Chemical Name: (4-(Methoxycarbonyl)-3-Methylphenyl)boronic acid
• CAS No.: 603122-81-2
• Molecular Formula: C9H11BO4
• Molecular Weight: 193.995
• Hs Code.: 2931900090
• Mol file: 603122-81-2.mol

Synonyms:3-METHYL-4-(METHOXYCARBONYL)PHENYLBORONIC ACID;

Chemical Property of (4-(Methoxycarbonyl)-3-Methylphenyl)boronic acid

Chemical Property:

• Boiling Point: 356.0±52.0 °C(Predicted)
• PKA: 7.74±0.10(Predicted)
• PSA: 66.76000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: -0.53860
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

4-Methoxycarbonyl-3-methylphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (4-(Methoxycarbonyl)-3-Methylphenyl)boronic acid

There total 3 articles about (4-(Methoxycarbonyl)-3-Methylphenyl)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: 71.2%

methyl 2-methyl-4-(4,4,5 ,5-tetramethyl-1,3 ,2-dioxaborolan-2-yl)benzoate (525362-07-6) → [4-(methoxycarbonyl)-3-methylphenyl]boronic acid (603122-81-2)

Guidance literature:

With sodium periodate; ammonium acetate; In water; acetone; at 20 ℃; for 16h;

Reference yield:

4-bromo-2-methyl-benzoic acid methyl ester (99548-55-7) + bis(pinacol)diborane (73183-34-3) → [4-(methoxycarbonyl)-3-methylphenyl]boronic acid (603122-81-2)

Guidance literature:

With ammonium acetate; sodium periodate; potassium acetate; dichlorobis(triphenylphosphine)palladium[II]; In 1,4-dioxane; water; acetone;

Reference yield:

4-bromo-2-methyl-benzoic acid methyl ester (99548-55-7) → [4-(methoxycarbonyl)-3-methylphenyl]boronic acid (603122-81-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 4 h / 110 °C / Inert atmosphere

2: sodium periodate; ammonium acetate / acetone; water / 16 h / 20 °C

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium periodate; ammonium acetate; potassium acetate; In 1,4-dioxane; water; acetone;

upstream raw materials:

4-bromo-2-methyl-benzoic acid methyl ester

bis(pinacol)diborane

methyl 2-methyl-4-(4,4,5 ,5-tetramethyl-1,3 ,2-dioxaborolan-2-yl)benzoate

Downstream raw materials:

methyl 4'-[2-[(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-3-methyl-1,1'-biphenyl-4-carboxylate

methyl 4-{6-bromo-4-[(3,3,3-trifluoropropyl)amino]-1H-benzimidazol-1-yl}-2-methylbenzoate

4-(6-amino-5-(1-isopropyl-1H-1,2,3-triazol-4-yl)pyridin-3-yl)-2-methylbenzoic acid

C₃₂H₃₆ClNO₅

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