2-Iodo-1,3-diisopropylbenzene

Base Information

• Chemical Name: 2-Iodo-1,3-diisopropylbenzene
• CAS No.: 163704-47-0
• Molecular Formula: C12H17I
• Molecular Weight: 288.171
• DSSTox Substance ID: DTXSID30432936
• Nikkaji Number: J1.755.160D
• Wikidata: Q82247075
• Mol file: 163704-47-0.mol

Synonyms:163704-47-0;2-Iodo-1,3-diisopropylbenzene;2,6-Diisopropyliodobenzene;2-iodo-1,3-di(propan-2-yl)benzene;Benzene, 2-iodo-1,3-bis(1-methylethyl)-;MFCD12547790;1-iodo-2,6-diisopropylbenzene;2, 6-diisopropylphenyl iodide;1,3-Diisopropyl-2-iodobenzene;SCHEMBL2593118;DTXSID30432936;AZYZPYVCTLOROS-UHFFFAOYSA-N;AKOS016006717;CS-11653;SY027407;CS-0154313;FT-0724502;A882552

Chemical Property of 2-Iodo-1,3-diisopropylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 4.53800
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 288.03750
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

97% ^*data from raw suppliers

2,6-Diisopropyliodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodo-1,3-diisopropylbenzene

There total 5 articles about 2-Iodo-1,3-diisopropylbenzene 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: 73.0%

2,6-diisopropylbenzenamine (24544-04-5) → 2-iodo-1,3-diisopropylbenzene (163704-47-0)

Guidance literature:

2,6-diisopropylbenzenamine; With sulfuric acid; sodium nitrite; In water; at -20 ℃;

With potassium iodide; In water; for 18h;

Reference yield: 59.0%

2,6-diisopropylbenzenamine (24544-04-5) + bis(trifluoromethanesulfonyl)amide (82113-65-3) → 2-iodo-1,3-diisopropylbenzene (163704-47-0)

Guidance literature:

bis(trifluoromethanesulfonyl)amide; With tert.-butylnitrite; acetic acid; In ethanol; Cooling with ice;

2,6-diisopropylbenzenamine; With tetraethylammonium iodide; In water; at 20 ℃;

DOI:10.1002/hc.21418

Reference yield: 54.0%

C22H24I(1+)*BF4(1-) → 1-Fluoronaphthalene (321-38-0) + 2-iodo-1,3-diisopropylbenzene (163704-47-0)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; copper(II) methanesulfonate; In N,N-dimethyl-formamide; at 60 ℃; for 18h; Reagent/catalyst; Time; Solvent;

DOI:10.1021/ol4025716

upstream raw materials:

2,6-diisopropylbenzenamine

1-Naphthylboronic acid

bis(trifluoromethanesulfonyl)amide

Downstream raw materials:

2,6-bis-(1-methylethyl)benzoic acid

1-(2,6-diisopropylphenyl)-1H-imidazole

2,6-diisopropylphenol

1,3-diisopropyl-2-(phenylethynyl)benzene

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