1,3,5,7-Tetrakis(4-iodophenyl)adamantane

Base Information

• Chemical Name: 1,3,5,7-Tetrakis(4-iodophenyl)adamantane
• CAS No.: 144970-30-9
• Molecular Formula: C34H28I4
• Molecular Weight: 944.214
• European Community (EC) Number: 891-354-2
• Nikkaji Number: J1.358.045F
• Mol file: 144970-30-9.mol

Synonyms:1,3,5,7-tetrakis(4-iodophenyl)adamantane;144970-30-9;Tricyclo[3.3.1.13,7]decane, 1,3,5,7-tetrakis(4-iodophenyl)-;Tricyclo[3.3.1.13,7]decane,1,3,5,7-tetrakis(4-iodophenyl)-;YSZC324;SCHEMBL2236380;HTGPRXPCTBXRBH-UHFFFAOYSA-N;MFCD30187648;BS-51341;CS-0146174;EN300-33216616

Chemical Property of 1,3,5,7-Tetrakis(4-iodophenyl)adamantane

Chemical Property:

• Melting Point: 250 °C(Solv: chloroform (67-66-3); methanol (67-56-1))
• Boiling Point: 725.5±60.0 °C(Predicted)
• PSA: 0.00000
• Density: 2.037±0.06 g/cm3(Predicted)
• LogP: 10.53820
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 12.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 943.8370
• Heavy Atom Count: 38
• Complexity: 647

Purity/Quality:

≥99% ^*data from raw suppliers

1,3,5,7-Tetrakis(4-iodophenyl)adamantane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)I)C5=CC=C(C=C5)I)C6=CC=C(C=C6)I)C7=CC=C(C=C7)I

Technology Process of 1,3,5,7-Tetrakis(4-iodophenyl)adamantane

There total 11 articles about 1,3,5,7-Tetrakis(4-iodophenyl)adamantane 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: 100.0%

1,3,5,7-tetrakis-[4-(bis(trifluoroacetoxy)iodo)phenyl]adamantane → 1,3,5,7-tetrakis(4-iodophenyl)adamantane (144970-30-9)

Guidance literature:

1,3,5,7-tetrakis-[4-(bis(trifluoroacetoxy)iodo)phenyl]adamantane; With trimethylsilyl cyanide; boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 0.5h;

With 2,4-dimethyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrole; In dichloromethane; at 20 ℃; for 6h;

With sodium hydrogencarbonate; sodium thiosulfate; In dichloromethane; water; at 20 ℃; for 0.25h;

DOI:10.1021/jo061820i

Reference yield: 82.0%

1,3,5,7-tetrakis[4-{hydroxy(tosyloxy)iodo}phenyl]adamantane + Benzeneacetamide (103-81-1) → benzylamine p-toluenesulfonic acid (14613-34-4) + 1,3,5,7-tetrakis(4-iodophenyl)adamantane (144970-30-9)

Guidance literature:

In acetonitrile; for 1h; Heating;

DOI:10.1002/anie.200454234

Reference yield: 80.0%

1,3,5,7-tetrakis(phenyl)adamantane (16004-75-4) → 1,3,5,7-tetrakis(4-iodophenyl)adamantane (144970-30-9)

Guidance literature:

With iodine; bis-[(trifluoroacetoxy)iodo]benzene;

DOI:10.1055/s-2007-990807

upstream raw materials:

1,3,5,7-tetrakis(phenyl)adamantane

Benzeneacetamide

1-phenyl-propan-1-one

1-Adamantyl bromide

Downstream raw materials:

1-(4-trimethylsilylethynylphenyl)-3,5,7-tris(4-carboethoxyphenyl)adamantane

1-(trimethylsilylethynylphenyl)-3,5,7-tris(4-carboxyphenyl)adamantane

trimethyl[4-[3,5,7-tris(4-iodophenyl)adamantan-1-yl]phenylethynyl]silane

C₄₀H₃₇IO₆

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