1-(2-Iodoethyl)-4-octylbenzene

Base Information

• Chemical Name: 1-(2-Iodoethyl)-4-octylbenzene
• CAS No.: 162358-07-8
• Molecular Formula: C16H25I
• Molecular Weight: 344.279
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID60441591
• Nikkaji Number: J1.342.322I
• Wikidata: Q72483617
• Mol file: 162358-07-8.mol

Synonyms:1-(2-Iodoethyl)-4-octylbenzene;162358-07-8;2-(4-OCTYLPHENYL)-1-IODOETHANE;Benzene, 1-(2-iodoethyl)-4-octyl-;2-(4-octylphenyl)ethyl iodide;C16H25I;4-Octylphenethyl iodide;SCHEMBL4254717;DTXSID60441591;YURZVKRFVMTWMC-UHFFFAOYSA-N;AMY16221;BCP15346;Benzene,1-(2-iodoethyl)-4-octyl-;MFCD09753530;AKOS016007566;DS-18616;CS-0152267;FT-0673248;J-009928;2-(4-Octylphenyl)ethyl iodide

Chemical Property of 1-(2-Iodoethyl)-4-octylbenzene

Chemical Property:

• Boiling Point: 367.927 °C at 760 mmHg
• Flash Point: 152.798 °C
• PSA: 0.00000
• Density: 1.261 g/cm³
• LogP: 5.56710
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 344.10010
• Heavy Atom Count: 17
• Complexity: 159

Purity/Quality:

99%min ^*data from raw suppliers

2-(4-Octylphenyl)-1-iodoethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)CCI
• Uses: 2-(4-Octylphenyl)-1-iodoethane (cas# 162358-07-8) is a compound useful in organic synthesis.

Technology Process of 1-(2-Iodoethyl)-4-octylbenzene

There total 18 articles about 1-(2-Iodoethyl)-4-octylbenzene 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: 80.0%

→ 2-(4-octylphenyl)-1-iodoethane (162358-07-8)

Guidance literature:

Reference yield:

4-octylphenethyl methanesulfonate (162358-06-7) → 2-(4-octylphenyl)-1-iodoethane (162358-07-8)

Guidance literature:

With lithium iodide; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1021/jo049885d

Reference yield:

2-(4-Octylphenyl)ethyl alcohol (162358-05-6) → 2-(4-octylphenyl)-1-iodoethane (162358-07-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 1 h

2: 5.37 g / LiI / tetrahydrofuran / 4 h / 20 °C

With triethylamine; lithium iodide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo049885d

upstream raw materials:

4-octylphenethyl methanesulfonate

p-hydroxyphenethyl alcohol

2-(4-hydroxyphenyl)ethyl acetate

2-(4-Octylphenyl)ethyl alcohol

Downstream raw materials:

diethyl 2-[2-(4-octylphenyl)ethyl]-2-[3-(tetrahydro-2H-pyran-2-yloxy)propyl]malonate

1-ethyl-4-octylbenzene

ethyl 2-ethoxycarbonyl-4-(4-octylphenyl)butyrate

ethyl 2-methoxycarbonylamino-2-[2-(4-octylphenyl)ethyl]-5-(tetrahydro-2H-pyran-2-yloxy)valerate

Refernces

• 1、 -. "FINGOLIMOD HYDROCHLORIDE PROCESS". Page/Page column 9. . Retrieved 2015/07/07.
• 2、 -. "PREPARATION OF FINGOLIMOD AND ITS SALTS". Paragraph 0255. . Retrieved 2014/09/03.