3-Methoxy-4-methoxycarbonylphenylboronic acid

Base Information

• Chemical Name: 3-Methoxy-4-methoxycarbonylphenylboronic acid
• CAS No.: 603122-41-4
• Molecular Formula: C9H11BO5
• Molecular Weight: 209.994
• Hs Code.: 2931900090
• European Community (EC) Number: 691-581-5
• DSSTox Substance ID: DTXSID00590390
• Nikkaji Number: J2.402.081I
• Wikidata: Q72490197
• Mol file: 603122-41-4.mol

Synonyms:603122-41-4;3-METHOXY-4-METHOXYCARBONYLPHENYLBORONIC ACID;3-methoxy-4-(methoxycarbonyl)phenylboronic acid;4-Methoxycarbonyl-3-methoxyphenylboronic acid;(3-methoxy-4-methoxycarbonylphenyl)boronic acid;[3-methoxy-4-(methoxycarbonyl)phenyl]boronic acid;(3-methoxy-4-(methoxycarbonyl)phenyl)boronic acid;MFCD07366483;3-Methoxy-4-(methoxycarbonyl)benzeneboronic acid;1216665-42-7;(3-methoxy-4-methoxycarbonyl-phenyl)boronic acid;3-METHOXY-4-METHOXYCARBONYLPHENYLBORONICACID;SCHEMBL189207;DTXSID00590390;YCXPWNGIPLGCOJ-UHFFFAOYSA-N;AKOS015851430;AB30928;PS-9508;AC-26878;AM804120;SY107009;DB-010606;CS-0047532;3-methoxy-4-methoxycarbonylphenyl boronic acid;A26177;W10573;EN300-7357309;(3-methoxy-4(methoxycarbonyl)phenyl) boronic acid;[3-methoxy-4-(methoxycarbonyl)phenyl]-boronic acid;(3-methoxy-4-(methoxycarbonyl) phenyl) boronic acid;4-Methoxycarbonyl-3-methoxyphenylboronic acid, AldrichCPR

Chemical Property of 3-Methoxy-4-methoxycarbonylphenylboronic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.526
• Boiling Point: 397.374 °C at 760 mmHg
• PKA: 7.21±0.10(Predicted)
• Flash Point: 194.125 °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

3-Methoxy-4-methoxycarbonylphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=C(C=C1)C(=O)OC)OC)(O)O
• Uses: 3-Methoxy-4-methoxycarbonylphenylboronic Acid (CAS# 603122-41-4) is a salicylic acid derivative used as an inhibitor of oxalate production in mice with primary hyperoxaluria type 1, and has been studied as an antagonist of GPR52 to improve the symptoms of psychiatric disorders.

Technology Process of 3-Methoxy-4-methoxycarbonylphenylboronic acid

There total 1 articles about 3-Methoxy-4-methoxycarbonylphenylboronic 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:

methyl 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (603122-40-3) → (3-methoxy-4-(methoxycarbonyl)phenyl)boronic acid (603122-41-4)

Guidance literature:

With ammonium acetate; sodium periodate; In water; acetone;

Reference yield: 100.0%

(3-methoxy-4-(methoxycarbonyl)phenyl)boronic acid (603122-41-4) + (R)-4-(3-chloro-5-cyclopentyl-4,5-dihydro-1H-pyrazol-1-yl)-2-methylbenzonitrile (1246765-10-5) → (R)-methyl 4-(1-(4-cyano-3-methylphenyl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl)-2-methoxybenzoate (1637740-90-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; at 70 ℃; for 16h; Inert atmosphere;

DOI:10.1021/jm500206r

Reference yield: 87.0%

(3-methoxy-4-(methoxycarbonyl)phenyl)boronic acid (603122-41-4) + tert-butyl (2R)-2-[(E)-(p-tolylsulfonylhydrazono)methyl]pyrrolidine-1-carboxylate → C19H27NO5

Guidance literature:

With potassium carbonate; In 1,4-dioxane; at 110 ℃; for 3h;

upstream raw materials:

methyl 2-methoxy-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-methoxy-1,1'-biphenyl-4-carboxylate

C₃₂H₃₆ClNO₆

7-methoxy-2-(2'-methoxyphenyl)-3-[(4''-carboxy-3''-methoxy-1,1'-biphenyl-4-yl)methyl]-4H-1-benzopyran-4-one methyl ester

methyl 3-methoxy-[1,1‘-biphenyl]-4-carboxylate