Benzene, 1-[(6-bromohexyl)oxy]-4-iodo-

Base Information

• Chemical Name: Benzene, 1-[(6-bromohexyl)oxy]-4-iodo-
• CAS No.: 303092-94-6
• Molecular Formula: C12H16BrIO
• Molecular Weight: 383.067
• DSSTox Substance ID: DTXSID30399671
• Nikkaji Number: J3.011.551A
• Wikidata: Q82202350
• Mol file: 303092-94-6.mol

Synonyms:Benzene, 1-[(6-bromohexyl)oxy]-4-iodo-;303092-94-6;1-(6-bromohexoxy)-4-iodobenzene;1-(6-Bromohexyloxy)-4-iodobenzene;SCHEMBL21114104;DTXSID30399671;A1-05168

Chemical Property of Benzene, 1-[(6-bromohexyl)oxy]-4-iodo-

Chemical Property:

• Melting Point: 55 °C
• Boiling Point: 387.9±27.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.656±0.06 g/cm3(Predicted)
• LogP: 4.62530
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 381.94293
• Heavy Atom Count: 15
• Complexity: 147

Purity/Quality:

1-(6-Bromohexyloxy)-4-iodobenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCCCCCBr)I

Technology Process of Benzene, 1-[(6-bromohexyl)oxy]-4-iodo-

There total 2 articles about Benzene, 1-[(6-bromohexyl)oxy]-4-iodo- 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: 82.0%

1 ,6-dibromohexane (629-03-8) + p-Iodophenol (540-38-5) → 4-(1-hexyloxy-6-bromo)-1-iodobenzene (303092-94-6)

Guidance literature:

With potassium hydroxide; In acetone; acetonitrile; for 24h; Reflux;

DOI:10.1039/d0tc05608a

Reference yield:

→ 4-(1-hexyloxy-6-bromo)-1-iodobenzene (303092-94-6)

Guidance literature:

With potassium carbonate; In acetone; at 90 ℃; for 24h;

Reference yield: 91.0%

4-(1-hexyloxy-6-bromo)-1-iodobenzene (303092-94-6) + potassium thioacetate (10387-40-3) → I-C6H4-O-(CH2)6-SAc (1338595-64-4)

Guidance literature:

In acetone; at 20 ℃; for 40h;

DOI:10.1039/c1nj20235a

upstream raw materials:

1 ,6-dibromohexane

p-Iodophenol

Downstream raw materials:

4-(1-hexyloxy-6-(N⁶-(4-methoxybenzoyl)adenine))-1-iodobenzene

4-(1-hexyloxy-6-thymine)-1-iodobenzene

C₁₉H₂₈O₂SSi

HCCC₆H₄O(CH₂)6SAc

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