1,4-Bis(heptyloxy)-2,5-diiodobenzene

Base Information

• Chemical Name: 1,4-Bis(heptyloxy)-2,5-diiodobenzene
• CAS No.: 149762-42-5
• Molecular Formula: C20H32 I2 O2
• Molecular Weight: 558.282
• DSSTox Substance ID: DTXSID10692930
• Nikkaji Number: J2.452.361F
• Wikidata: Q82621967
• Mol file: 149762-42-5.mol

Synonyms:149762-42-5;1,4-BIS(HEPTYLOXY)-2,5-DIIODOBENZENE;1,4-diheptoxy-2,5-diiodobenzene;1,4-DIIODO-2,5-BIS(HEPTYLOXY)BENZENE;DTXSID10692930

Chemical Property of 1,4-Bis(heptyloxy)-2,5-diiodobenzene

Chemical Property:

• PSA: 18.46000
• LogP: 7.59420
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 558.04918
• Heavy Atom Count: 24
• Complexity: 261

Purity/Quality:

1,4-Bis(heptyloxy)-2,5-diiodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC1=CC(=C(C=C1I)OCCCCCCC)I

Technology Process of 1,4-Bis(heptyloxy)-2,5-diiodobenzene

There total 4 articles about 1,4-Bis(heptyloxy)-2,5-diiodobenzene 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%

1,4-di-(n-heptyloxy)benzene (65128-45-2) → 1,4-diiodo-2,5-diheptyloxybenzene (149762-42-5)

Guidance literature:

With sulfuric acid; iodine; iodic acid; In acetic acid;

DOI:10.1021/ja970048l

Reference yield:

1-Bromoheptane (629-04-9) → 1,4-diiodo-2,5-diheptyloxybenzene (149762-42-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / KOH / dimethylsulfoxide

2: 76 percent / I₂, HIO₃, H₂SO₄ / acetic acid

With potassium hydroxide; sulfuric acid; iodine; iodic acid; In acetic acid; dimethyl sulfoxide;

DOI:10.1021/ja970048l

Reference yield:

hydroquinone (123-31-9,8027-02-9) → 1,4-diiodo-2,5-diheptyloxybenzene (149762-42-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / KOH / dimethylsulfoxide

2: 76 percent / I₂, HIO₃, H₂SO₄ / acetic acid

With potassium hydroxide; sulfuric acid; iodine; iodic acid; In acetic acid; dimethyl sulfoxide;

DOI:10.1021/ja970048l

upstream raw materials:

1,4-di-(n-heptyloxy)benzene

1,4-diiodo-2,5-dimethoxybenzene

1-Bromoheptane

hydroquinone

Downstream raw materials:

2,5-Bis-heptyloxy-4-iodo-benzaldehyde

4-[{2,5-bis(heptoxy)-4-iodophenyl}ethynyl]-2,5-bis(heptoxy)benzaldehyde