4-Iodophenoxyacetic acid

Base Information

• Chemical Name: 4-Iodophenoxyacetic acid
• CAS No.: 1878-94-0
• Molecular Formula: C8H7IO3
• Molecular Weight: 278.046
• Hs Code.: 29189900
• European Community (EC) Number: 217-531-0
• DSSTox Substance ID: DTXSID80172092
• Nikkaji Number: J135.736K
• Wikidata: Q72484300
• ChEMBL ID: CHEMBL366651
• Mol file: 1878-94-0.mol

Synonyms:4-iodophenoxyacetic acid

Chemical Property of 4-Iodophenoxyacetic acid

Chemical Property:

• Appearance/Colour: white to light yellow powder
• Vapor Pressure: 9.16E-06mmHg at 25°C
• Melting Point: 154-157 °C(lit.)
• Boiling Point: 358.5 °C at 760 mmHg
• PKA: pK1:3.16 (25°C)
• Flash Point: 170.6 °C
• PSA: 46.53000
• Density: 1.896 g/cm³
• LogP: 1.75460
• Sensitive.: Light Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 277.94399
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Iodophenoxy)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC(=O)O)I

Technology Process of 4-Iodophenoxyacetic acid

There total 14 articles about 4-Iodophenoxyacetic 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: 99.0%

methyl 2-(4-iodophenoxy)acetate (81720-18-5) → 4-iodophenoxyacetic acid (1878-94-0)

Guidance literature:

With sodium hydroxide; In ethanol; at 25 ℃; for 72h;

DOI:10.1016/j.tetlet.2004.08.147

Reference yield: 98.0%

4-iodophenoxyacetic acid ethyl ester (90794-33-5) → 4-iodophenoxyacetic acid (1878-94-0)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.jorganchem.2013.04.007

Reference yield: 94.6%

2-phenoxyacetic acid (122-59-8) → 4-iodophenoxyacetic acid (1878-94-0)

Guidance literature:

With sodium hypochlorite; sodium iodide; In methanol; water; at 25 - 36 ℃;

upstream raw materials:

4-aminophenoxyacetic acid

p-Iodophenol

chloroacetic acid

ethanol

Downstream raw materials:

methyl 2-(4-iodophenoxy)acetate

biphenyl-4-yloxy-acetic acid amide

3-[2-(4-iodophenoxy)acetylamino]benzoic acid methyl ester

methyl-3-[2-(4-ethynylphenoxy)acetamido]-4-hydroxybenzoate

Refernces

• 1、 Zhang, Jingyu,Li, Shiguang,Deng, Guo-Jun,Gong, Hang. "Metal-Free, Oxidant-Free, and Controllable Graphene Oxide Catalyzed Direct Iodination of Arenes and Ketones". . p. 376 - 380. Retrieved 2017/12/07.
• 2、 He, Xingrui,Yu, Zhaonan,Jiang, Shaojie,Zhang, Peizhi,Shang, Zhicai,Lou, Yonggen,Wu, Jun. "Finding new elicitors that induce resistance in rice to the white-backed planthopper Sogatella furcifera". . p. 5601 - 5603. Retrieved 2015/11/17.