2-(4-Iodophenyl)ethanol

Base Information

• Chemical Name: 2-(4-Iodophenyl)ethanol
• CAS No.: 52914-23-5
• Molecular Formula: C8H9IO
• Molecular Weight: 248.063
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID20200964
• Nikkaji Number: J71.110A
• Wikidata: Q72484362
• Mol file: 52914-23-5.mol

Synonyms:2-(4-iodophenyl)ethanol;52914-23-5;4-iodophenylethylalcohol;4-iodophenethyl alcohol;p-Iodophenethyl alcohol;2-(4-Iodo-phenyl)-ethanol;Phenethyl alcohol, p-iodo-;Benzeneethanol, 4-iodo-;C8H9IO;2-(4-iodophenyl)ethan-1-ol;BRN 1933621;4-iodophenylethyl alcohol;MFCD00173705;4-06-00-03082 (Beilstein Handbook Reference);4-IODOBENZENEETHANOL;SCHEMBL1416810;C8-H9-I-O;DTXSID20200964;GYUSTTSSRXDFKG-UHFFFAOYSA-N;AKOS014815353;CS-W004990;SB37522;DS-13341;SY105110;LS-103076;AM20040637;FT-0648030;EN300-2933039;A847040;J-515577

Chemical Property of 2-(4-Iodophenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.00242mmHg at 25°C
• Melting Point: 48-49oC
• Boiling Point: 275.7°Cat760mmHg
• PKA: 14.79±0.10(Predicted)
• Flash Point: 120.5°C
• PSA: 20.23000
• Density: 1.749g/cm³
• LogP: 1.82600
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247.96981
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Iodophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCO)I

Technology Process of 2-(4-Iodophenyl)ethanol

There total 15 articles about 2-(4-Iodophenyl)ethanol 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: 96.0%

4-bromophenethanol (4654-39-1) → 4-iodophenethyl alcohol (52914-23-5)

Guidance literature:

With copper(l) iodide; sodium iodide; N,N`-dimethylethylenediamine; In 1,4-dioxane; for 18h; Reflux;

DOI:10.1021/ja411573a

Reference yield: 85.0%

(4-iodophenyl)acetic acid (1798-06-7) → 4-iodophenethyl alcohol (52914-23-5)

Guidance literature:

(4-iodophenyl)acetic acid; With borane-THF; In tetrahydrofuran; at 20 ℃; Cooling with ice;

With hydrogenchloride; In tetrahydrofuran; water;

DOI:10.1002/anie.201102472

Reference yield: 81.0%

2-(4'-aminophenyl)ethyl alcohol (104-10-9) → 4-iodophenethyl alcohol (52914-23-5)

Guidance literature:

2-(4'-aminophenyl)ethyl alcohol; With sulfuric acid; sodium nitrite; In water; at 0 ℃; for 0.5h;

With potassium iodide; In water; at 0 - 60 ℃; for 2.5h;

DOI:10.1021/acs.jmedchem.0c01710

upstream raw materials:

4-(2-hydroxy-ethyl)-phenylmercury ⁽¹⁺⁾; chloride

2-(4'-aminophenyl)ethyl alcohol

2-phenylethanol

(4-iodophenyl)acetic acid

Downstream raw materials:

4-(2-chloroethyl)iodobenzene

(RS)-<2-(4-Iodphenyl)ethyl>ether

Carbonic acid hexyl ester 2-(4-iodo-phenyl)-ethyl ester

Carbonic acid ethyl ester 2-(4-iodo-phenyl)-ethyl ester

Refernces

• 1、 Matsuoka, Keitaro,Komami, Narumi,Kojima, Masahiro,Mita, Tsuyoshi,Suzuki, Kimichi,Maeda, Satoshi,Yoshino, Tatsuhiko,Matsunaga, Shigeki. "Chemoselective Cleavage of Si-C(sp3) Bonds in Unactivated Tetraalkylsilanes Using Iodine Tris(trifluoroacetate)". . p. 103 - 108. Retrieved 2021/01/13.
• 2、 Wang, Lu,Jacobson, Orit,Avdic, Din,Rotstein, Benjamin H.,Weiss, Ido D.,Collier, Lee,Chen, Xiaoyuan,Vasdev, Neil,Liang, Steven H.. "Ortho-stabilized 18F-azido click agents and their application in PET imaging with single-stranded DNA aptamers". supporting information. p. 12777 - 12781. Retrieved 2015/10/28.