4-Iodophenylacetic acid

Base Information

• Chemical Name: 4-Iodophenylacetic acid
• CAS No.: 1798-06-7
• Molecular Formula: C8H7IO2
• Molecular Weight: 262.047
• Hs Code.: 2916399090
• European Community (EC) Number: 920-826-3,681-569-8
• NSC Number: 4614
• DSSTox Substance ID: DTXSID10170864
• Nikkaji Number: J474.384I
• Wikidata: Q72484313
• Mol file: 1798-06-7.mol

Synonyms:131I-4-iodophenylacetic acid;4-iodophenylacetic acid

Chemical Property of 4-Iodophenylacetic acid

Chemical Property:

• Vapor Pressure: 0.000106mmHg at 25°C
• Melting Point: 134-136 °C
• Refractive Index: 1.643
• Boiling Point: 323.7 °C at 760 mmHg
• PKA: pK1:4.178 (25°C)
• Flash Point: 149.5 °C
• PSA: 37.30000
• Density: 1.885 g/cm³
• LogP: 1.91830
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Water Solubility.: Insoluble in water.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 261.94908
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

4-IodophenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)O)I
• Uses: 4-Iodophenylacetic acid, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used in suzuki coupling reaction transport. suzuki reaction

Technology Process of 4-Iodophenylacetic acid

There total 11 articles about 4-Iodophenylacetic 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: 81.0%

carbon dioxide (124-38-9,18923-20-1) + 4-iodobenzaldehyde hydrazone (860680-36-0) → (4-iodophenyl)acetic acid (1798-06-7)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; caesium carbonate; cesium fluoride; In N,N-dimethyl-formamide; at 80 ℃; for 24h; under 760.051 Torr; chemoselective reaction;

DOI:10.1039/c8sc01299g

Reference yield: 69.0%

4-aminophenylacetic acid (1197-55-3) → (4-iodophenyl)acetic acid (1798-06-7)

Guidance literature:

4-aminophenylacetic acid; With sulfuric acid; sodium nitrite; In water; at 0 ℃; for 0.5h;

With potassium iodide; In water; at 0 ℃; for 2.5h;

DOI:10.1016/j.bmc.2006.07.047

Reference yield: 45.0%

phenylacetic acid (103-82-2) → (4-iodophenyl)acetic acid (1798-06-7)

Guidance literature:

With sulfuric acid; iodine; In acetic acid; at 60 ℃; for 1.5h;

DOI:10.1021/ja000950k

upstream raw materials:

phenylacetic acid

4-iodophenylacetonitrile

4-aminophenylacetic acid

methyl 4-iodophenylacetate

Downstream raw materials:

(p-Iodophenyl)acetic acid Dichloride

α-Carboxy-4-jod-4'-chlorstilben

4-Hydroxy-4'-jod-stilben

α-<4-Jod-phenyl>-4-methoxy-zimtsaeure

Refernces

• 1、 Guan, Yong,Ding, Zhensheng,Wulff, William D.. "Vaulted biaryls in catalysis: A structure-activity relationship guided tour of the immanent domain of the VANOL ligand". supporting information. p. 15565 - 15571. Retrieved 2013/11/19.
• 2、 Waybright,Singleton,Wachter,Murphy,Bunz. "Oligonucleotide-directed assembly of materials: Defined oligomers". . p. 1828 - 1833. Retrieved 2007/10/03.