Benzene, 1-iodo-2-(4-pentenyloxy)-

Base Information

• Chemical Name: Benzene, 1-iodo-2-(4-pentenyloxy)-
• CAS No.: 107616-61-5
• Molecular Formula: C11H13IO
• Molecular Weight: 288.12500
• DSSTox Substance ID: DTXSID70549476
• Nikkaji Number: J2.199.076K
• Wikidata: Q82428525
• Mol file: 107616-61-5.mol

Synonyms:1-Iodo-2-pent-4-enoxybenzene;107616-61-5;Benzene, 1-iodo-2-(4-pentenyloxy)-;1-IODO-2-(PENT-4-EN-1-YLOXY)BENZENE;DTXSID70549476;AKOS013637122;1-Iodo-2-[(pent-4-en-1-yl)oxy]benzene;A1-05120

Chemical Property of Benzene, 1-iodo-2-(4-pentenyloxy)-

Chemical Property:

• PSA: 9.23000
• LogP: 3.63620
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 288.00111
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

1-Iodo-2-pent-4-enoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCOC1=CC=CC=C1I

Technology Process of Benzene, 1-iodo-2-(4-pentenyloxy)-

There total 8 articles about Benzene, 1-iodo-2-(4-pentenyloxy)- 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: 76.0%

2-(4-Pentenyloxy)anilin (107195-50-6) → 1-iodo-2-(pent-4-en-1-yloxy)benzene (107616-61-5)

Guidance literature:

With methanesulfonic acid; tetra-(n-butyl)ammonium iodide; isopentyl nitrite; In acetonitrile; at 20 ℃; for 1h; Schlenk technique;

DOI:10.1002/anie.201403968

Reference yield: 64.0%

1-bromo-2-(pent-4-en-1-yloxy)benzene → 1-iodo-2-(pent-4-en-1-yloxy)benzene (107616-61-5)

Guidance literature:

With iodine; sodium iodide; In acetonitrile; at 25 ℃; for 24h; UV-irradiation; Inert atmosphere;

DOI:10.1002/chem.201603608

Reference yield: 61.0%

2-Iodophenol (533-58-4) + bromopentene (1119-51-3) → 1-iodo-2-(pent-4-en-1-yloxy)benzene (107616-61-5)

Guidance literature:

With sodium hydroxide; In water; for 5h; Heating;

DOI:10.1021/jo00386a007

upstream raw materials:

2-Iodophenol

bromopentene

2-(4-Pentenyloxy)anilin

2'-(4-Pentenyloxy)acetanilid

Downstream raw materials:

(pent-4-en-1-yloxy)benzene