4-Iodophenetole

Base Information

• Chemical Name: 4-Iodophenetole
• CAS No.: 699-08-1
• Molecular Formula: C8H9IO
• Molecular Weight: 248.063
• Hs Code.: 29093090
• NSC Number: 3781
• DSSTox Substance ID: DTXSID40277739
• Nikkaji Number: J96.185J
• Wikidata: Q72484293
• Mol file: 699-08-1.mol

Synonyms:4-Iodophenetole;699-08-1;1-Ethoxy-4-iodobenzene;p-Iodophenetole;4-Ethoxyiodobenzene;4-Ethoxy-4-iodobenzene;Benzene, 1-ethoxy-4-iodo-;1-Ethoxy-4-iodo-benzene;4-Iodophenyl ethyl ether;Phenetole, p-iodo-;p-Ethoxyiodobenzene;MFCD00061124;1-Iodo-4-Ethyloxybenzene;p-Jodphenetol;NSC3781;1-iodo-4-ethoxybenzene;4-Iodophenetole, 97%;SCHEMBL760252;DTXSID40277739;AMY24899;NSC 3781;NSC-3781;AKOS005146088;CS-W004065;DS-13875;SY018622;FT-0601154;I0525;EN300-130470;J-504585

Chemical Property of 4-Iodophenetole

Chemical Property:

• Vapor Pressure: 0.0333mmHg at 25°C
• Melting Point: 25-28 °C(lit.)
• Refractive Index: 1.5970
• Boiling Point: 251 °C at 760 mmHg
• Flash Point: 105.6 °C
• PSA: 9.23000
• Density: 1.631 g/cm³
• LogP: 2.68990
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Solubility.: soluble in Methanol
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247.96981
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

99% ^*data from raw suppliers

Methyl 5-bromo-2-methylpyridine-3-carboxylate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)I
• Uses: 4-Iodophenetole may be used as one of the components in the synthesis of bis(4-ethoxyphenyl)amine. Intermediates of Liquid Crystals suzuki reaction

Technology Process of 4-Iodophenetole

There total 14 articles about 4-Iodophenetole 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: 98.0%

p-Iodophenol (540-38-5) → 1-ethoxy-4-iodobenzene (699-08-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃;

DOI:10.1016/j.ejmech.2021.113797

Reference yield: 97.0%

Phenetole (103-73-1) → 1-ethoxy-4-iodobenzene (699-08-1)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; zinc(II) chloride; In acetic acid; for 2h; Ambient temperature;

DOI:10.1246/cl.1988.795

Reference yield: 96.2%

ethyl bromide (74-96-4) + p-Iodophenol (540-38-5) → 1-ethoxy-4-iodobenzene (699-08-1)

Guidance literature:

With cesium hydroxide; sodium hydroxide; In N,N-dimethyl-formamide; at 20 - 80 ℃; for 71h;

DOI:10.1039/c4tb00464g

upstream raw materials:

4-Ethoxyaniline

Phenetole

ethyl bromide

p-Iodophenol

Downstream raw materials:

4'-ethoxy-2-nitrobiphenyl

4,4'-diethoxybiphenyl

4-dichloroiodanyl-phenetole

2-iodo-4-nitro-phenetole

Refernces

• 1、 Abdelsamie, Ahmed S.,Bauer, Maximilian,Blankenfeldt, Wulf,Empting, Martin,Hamed, Mostafa,Hodzic, Amir,Kany, Andreas M.,Schmelz, Stefan,Scrima, Andrea,R?hrig, Teresa,Schütz, Christian. "Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR". . . Retrieved 2021/09/16.
• 2、 -. "Organic hole transport material and preparation method and application thereof". Paragraph 0033-0035. . Retrieved 2019/07/01.