4-Iodophenylboronic acid

Base Information

• Chemical Name: 4-Iodophenylboronic acid
• CAS No.: 5122-99-6
• Molecular Formula: C6H6BIO2
• Molecular Weight: 247.828
• Hs Code.: 29319090
• European Community (EC) Number: 629-039-7
• DSSTox Substance ID: DTXSID50199231
• Nikkaji Number: J710.708K
• Wikidata: Q72484341
• Mol file: 5122-99-6.mol

Synonyms:4-iodophenylboronic acid

Chemical Property of 4-Iodophenylboronic acid

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 5.53E-05mmHg at 25°C
• Melting Point: 326-330 °C(lit.)
• Refractive Index: 1.649
• Boiling Point: 333.1 °C at 760 mmHg
• PKA: 8.29±0.10(Predicted)
• Flash Point: 155.3 °C
• PSA: 40.46000
• Density: 1.95 g/cm³
• LogP: -0.02900
• Storage Temp.: 0-6°C
• Sensitive.: Light Sensitive
• Solubility.: soluble in Methanol
• Water Solubility.: 25 g/L
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.95056
• Heavy Atom Count: 10
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

4-Iodophenylboronic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)I)(O)O
• Uses: suzuki reaction Reagent used forCopper-mediated ligandless aerobic fluoroalkylation Palladium-catalyzed aerobic oxidative cross-coupling reactions Recyclable magnetic-nanoparticle-supported palladium catalyst for the Suzuki coupling reactions Oxidative hydroxylation using a copper (Cu) catalyst Ligand-free palladium-catalyzed Suzuki-Miyaura cross-coupling Homocoupling using gold salts as a catalyst Ruthenium (Ru)-catalyzed cross-coupling CuI-catalyzed Suzuki coupling reactions Palladium-catalyzed domino Heck-Mizoroki/Suzuki-Miyaura reactions Manganese triacetate-mediated radical additions of arylboronic acids to alkenes Reagent used in Preparation of Pleuromutilin derivatives for ribosomal binding and antibacterial activity via "Click Chemistry" Liquid crystalline polyacetylene derivatives

Technology Process of 4-Iodophenylboronic acid

There total 9 articles about 4-Iodophenylboronic 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: 69.0%

Trimethyl borate (121-43-7,63156-11-6) + para-diiodobenzene (624-38-4,1032416-46-8) → 4-iodophenylboronic acid (5122-99-6)

Guidance literature:

para-diiodobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

Trimethyl borate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

DOI:10.1055/a-1695-0820

Reference yield: 42.0%

tetrahydroxydiboron (13675-18-8) + 4-iodobenzenediazonium tetrafluoroborate (1514-50-7) → 4-iodophenylboronic acid (5122-99-6)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

DOI:10.1002/chem.201402487

Reference yield: 39.0%

tetrahydroxydiboron (13675-18-8) + p-aminoiodobenzene (540-37-4) → 4-iodophenylboronic acid (5122-99-6)

Guidance literature:

p-aminoiodobenzene; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.25h;

tetrahydroxydiboron; With sodium acetate; In water; at 20 ℃; for 0.333333h;

DOI:10.1002/chem.201402487

upstream raw materials:

boric acid tributyl ester

para-diiodobenzene

dimethyl 4-iodophenylboronate

1,4-bromoiodobenzene

Downstream raw materials:

5,5-dimethyl-2-(4-iodophenyl)-1,3,2-dioxaborinane

2-carbomethoxy-3-(4-iodophenyl)-8-oxabicyclo[3.2.1]-2-octene

(E)-butyl 3-(4-iodophenyl)acrylate

1-(4-iodophenyl)pyrrolidine-2,5-dione

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