4-Iodobutoxybenzene

Base Information

• Chemical Name: 4-Iodobutoxybenzene
• CAS No.: 20549-72-8
• Molecular Formula: C10H13 I O
• Molecular Weight: 276.117
• Hs Code.: 2909309090
• European Community (EC) Number: 606-579-1
• DSSTox Substance ID: DTXSID70452274
• Nikkaji Number: J938.200C
• Wikidata: Q82272791
• Mol file: 20549-72-8.mol

Synonyms:4-iodobutoxybenzene;20549-72-8;1-IODO-4-PHENOXYBUTANE;(4-IODOBUTOXY)BENZENE;SCHEMBL11408226;DTXSID70452274

Chemical Property of 4-Iodobutoxybenzene

Chemical Property:

• Vapor Pressure: 0.00217mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 299°C at 760 mmHg
• Flash Point: 134.7°C
• PSA: 9.23000
• Density: 1.518g/cm³
• LogP: 3.28060
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 276.00111
• Heavy Atom Count: 12
• Complexity: 100

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCCCI

Technology Process of 4-Iodobutoxybenzene

There total 6 articles about 4-Iodobutoxybenzene 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:

4-phenoxybutan-1-ol (1927-71-5) → 1,4-Diiodobutane (628-21-7) + 4-phenoxybutyl iodide (20549-72-8)

Guidance literature:

With hydrogen iodide;

Reference yield:

4-bromophenyl butyl ether (1200-03-9) → 4-phenoxybutyl iodide (20549-72-8)

Guidance literature:

With sodium iodide; In acetone; for 6h; Reflux;

DOI:10.1016/j.chempr.2019.12.010

Reference yield:

4-phenoxybutylamine (16728-66-8) → 4-phenoxybutyl iodide (20549-72-8)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOH-solution

2: PCl₅ / Destillation des entstandenen Imidchlorids

3: alcohol; sodium iodide

With sodium hydroxide; ethanol; phosphorus pentachloride; sodium iodide;

upstream raw materials:

4-phenoxybutan-1-ol

1,4-Diiodobutane

4-phenoxybutylamine

4-bromophenyl butyl ether

Downstream raw materials:

1,4-Diiodobutane

1,8-diphenoxyoctane

(hept-6-enyloxy)benzene

6-phenoxy-hexan-2-one