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

Base Information

• Chemical Name: 1,4-Bis(dodecyloxy)-2,5-diiodobenzene
• CAS No.: 145483-66-5
• Molecular Formula: C30H52 I2 O2
• Molecular Weight: 698.551
• DSSTox Substance ID: DTXSID20465314
• Nikkaji Number: J937.101J
• Wikidata: Q82291153
• Mol file: 145483-66-5.mol

Synonyms:145483-66-5;1,4-BIS(DODECYLOXY)-2,5-DIIODOBENZENE;1,4-didodecoxy-2,5-diiodobenzene;1,4-DIIODO-2,5-BIS(DODECYLOXY)BENZENE;SCHEMBL13400876;DTXSID20465314;1,4-didodecanoxy-2,5-diiodobenzene

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

Chemical Property:

• PSA: 18.46000
• LogP: 11.49520
• XLogP3: 14.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 24
• Exact Mass: 698.20568
• Heavy Atom Count: 34
• Complexity: 383

Purity/Quality:

98%min ^*data from raw suppliers

1,4-DIDODECYLOXY-2,5-DIIODOBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC1=CC(=C(C=C1I)OCCCCCCCCCCCC)I

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

There total 8 articles about 1,4-Bis(dodecyloxy)-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: 95.0%

1,4-bis-dodecyloxy-benzene (3230-09-9) → 1,4-bis(dodecyloxy)-2,5-diiodobenzene (145483-66-5)

Guidance literature:

With Iodine monochloride; In methanol; at 70 ℃; for 4h;

DOI:10.1021/acs.joc.9b01555

Reference yield: 92.0%

1-Iodododecane (4292-19-7) + 2,5-diiodo-1,4-hydroquinone (13064-64-7) → 1,4-bis(dodecyloxy)-2,5-diiodobenzene (145483-66-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 18h; Inert atmosphere;

DOI:10.1021/ja411665k

Reference yield: 91.7%

1-dodecylbromide (143-15-7) + 2,5-diiodo-1,4-hydroquinone (13064-64-7) → 1,4-bis(dodecyloxy)-2,5-diiodobenzene (145483-66-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃;

upstream raw materials:

1,4-bis-dodecyloxy-benzene

1-dodecylbromide

hydroquinone

2,5-diiodo-1,4-hydroquinone

Downstream raw materials:

4-(2,5-didodecyloxy-4-iodophenylethynyl)-pyridine-2,6-dicarboxylic acid dimethyl ester

1,4-bis(dodecyloxy)-2-[(trimethylsilyl)ethynyl]-5-iodobenzene

C₅₄H₆₈N₂O₆S₂

C₅₀H₆₂O₂

Refernces

• 1、 González-Rojano, Norma,Arias-Marín, Eduardo,Navarro-Rodríguez, Dámaso,Weidner, Steffen. "Bi-directional synthesis of a series of 2,5-dodecanoxy-phenyleneethynylene oligomers". . p. 1259 - 1262. Retrieved 2005.
• 2、 Li, Guorong,Wang, Xianhong,Wang, Fosong. "Column chromatographic purification free synthesis of long-chain monodisperse oligo(1,4-phenyleneethynylene)s: Towards large-scale automatic synthesis of molecular wires". . p. 723 - 725. Retrieved 2006.
• 3、 -. "COMPOUND, DETECTION MATERIAL AND DETECTION METHOD OF SUGAR COMPOUND USING THE SAME". Paragraph 0094; 0095. . Retrieved 2020/02/22.
• 4、 Samanta, Debabrata,Roy, Syamantak,Sasmal, Ranjan,Saha, Nilanjana Das,Pradeep,Viswanatha, Ranjani,Agasti, Sarit S.,Maji, Tapas Kumar. "Solvent Adaptive Dynamic Metal-Organic Soft Hybrid for Imaging and Biological Delivery". supporting information. p. 5008 - 5012. Retrieved 2019/03/11.