(4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid

Base Information

• Chemical Name: (4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid
• CAS No.: 501944-43-0
• Molecular Formula: C₁₄H₁₃BO₄
• Molecular Weight: 256.066
• DSSTox Substance ID: DTXSID80585709
• Wikidata: Q72489437
• Mol file: 501944-43-0.mol

Synonyms:501944-43-0;(4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid;[4-(4-methoxycarbonylphenyl)phenyl]boronic acid;4'-Boronic acid-biphenyl-4-carboxylic acid methyl ester;MFCD08544388;4'-(METHOXYCARBONYL)BIPHENYL-4-YLBORONIC ACID;(4-(Methoxycarbonyl)-[1,1-biphenyl]-4-yl)boronic acid;[1,1'-Biphenyl]-4-carboxylic acid, 4'-borono-, 4-methyl ester;4-(Methoxycarbonyl)biphenyl-4-ylboronic acid;[4-(4-Methoxycarbonylphenyl)phenyl]boronicacid;2-(O-METHYL)-INOSINE;SCHEMBL6605832;DTXSID80585709;OBHWJBMJYPCGPE-UHFFFAOYSA-N;AMY29920;BCP16423;CS-B1245;AKOS028109886;DS-3328;SY017953;4-(4-methoxycarbonylphenyl)phenylboronic acid;{4-[4-(methoxycarbonyl)phenyl]phenyl}boronic acid;(4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronicacid;[4'-(Methoxycarbonyl)[1,1'-biphenyl]-4-yl]boronic acid;4'-Borono-[1,1'-biphenyl]-4-carboxylic acid 4-methyl ester;4 inverted exclamation mark -(Methoxycarbonyl)biphenyl-4-boronic Acid

Chemical Property of (4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid

Chemical Property:

• Boiling Point: 451.0±55.0 °C(Predicted)
• PKA: 8.49±0.17(Predicted)
• Flash Point: 226.6oC
• PSA: 66.76000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 0.82000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 256.0906891
• Heavy Atom Count: 19
• Complexity: 292

Purity/Quality:

99.0%Min ^*data from raw suppliers

(4-(Methoxycarbonyl)-[1,1-Biphenyl]-4-Yl)BoronicAcidPinacolEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC)(O)O

Technology Process of (4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid

There total 1 articles about (4'-(Methoxycarbonyl)-[1,1'-biphenyl]-4-yl)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: 56.0%

→ (4'-(methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid (501944-43-0)

Guidance literature:

With potassium carbonate; In ethanol; water; at 50 ℃; for 5h; Inert atmosphere;

Reference yield: 62.0%

(4'-(methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid (501944-43-0) + 2,4,6-tribromophenol (118-79-6) → 2,4,6-tris-(4'-methoxycarbonyl-[1,1'-biphenyl]-4-yl)phenol

Guidance literature:

With palladium diacetate; sodium carbonate; In water; N,N-dimethyl-formamide; at 60 ℃; for 12h; Schlenk technique;

Reference yield:

(4'-(methoxycarbonyl)-[1,1'-biphenyl]-4-yl)boronic acid (501944-43-0) + 2,4,6-tribromophenol (118-79-6) → 2,4,6-tris-(4'-carboxy-[1,1'-biphenyl]-4-yl)phenol

Guidance literature:

Multi-step reaction with 2 steps

1: palladium diacetate; sodium carbonate / N,N-dimethyl-formamide; water / 12 h / 60 °C / Schlenk technique

2: potassium hydroxide / water; methanol / 18 h / Reflux

With palladium diacetate; sodium carbonate; potassium hydroxide; In methanol; water; N,N-dimethyl-formamide;

Refernces