3-Iodo-1,2,4,5-tetramethylbenzene

Base Information

• Chemical Name: 3-Iodo-1,2,4,5-tetramethylbenzene
• CAS No.: 2100-25-6
• Molecular Formula: C10H13I
• Molecular Weight: 260.118
• Hs Code.: 2903999090
• European Community (EC) Number: 218-266-3
• NSC Number: 97133
• DSSTox Substance ID: DTXSID20175209
• Nikkaji Number: J209.001E
• Wikidata: Q69758073
• Mol file: 2100-25-6.mol

Synonyms:3-Iodo-1,2,4,5-tetramethylbenzene;2100-25-6;2,3,5,6-Tetramethyliodobenzene;Iododurene;3-Iododurene;Benzene, 3-iodo-1,2,4,5-tetramethyl-;1-Iodo-2,3,5,6-tetramethylbenzene;3-iodo-1,2,4,5-tetramethyl-benzene;NSC97133;Maybridge1_002808;NCIOpen2_006239;DivK1c_001560;SCHEMBL11721559;HMS549H14;DTXSID20175209;3-Iodo-1,4,5-tetramethylbenzene;Iodo-2,3,5,6-tetramethylbenzene;CAA10025;EINECS 218-266-3;MFCD00013705;NSC 97133;NSC-97133;STK052939;AKOS005386164;CDS1_000520;AC-22941;AS-62684;AM20030331;CS-0128357;FT-0627263;T0992;EN300-218842;J-013753;5-METHYL-2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-4-CARBOXYLICACID

Chemical Property of 3-Iodo-1,2,4,5-tetramethylbenzene

Chemical Property:

• Appearance/Colour: white fine crystalline powder
• Vapor Pressure: 0.00915mmHg at 25°C
• Melting Point: 78-82 °C
• Refractive Index: 1.576
• Boiling Point: 274.249 °C at 760 mmHg
• Flash Point: 122.007 °C
• PSA: 0.00000
• Density: 1.473 g/cm³
• LogP: 3.52480
• Sensitive.: Light Sensitive
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 260.00620
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99%, ^*data from raw suppliers

3-Iodo-1,2,4,5-tetramethylbenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)I)C)C
• Uses: 3-Iodo-1,2,4,5-tetramethylbenzene is an iodinated aromatic with antiinfective and antineoplastic properties.

Technology Process of 3-Iodo-1,2,4,5-tetramethylbenzene

There total 11 articles about 3-Iodo-1,2,4,5-tetramethylbenzene 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: 98.0%

1,2,4,5-tetramethylbenzene (95-93-2) → 2,3,5,6-tetramethyliodobenzene (2100-25-6)

Guidance literature:

With sulfuric acid; potassium 4-iodylbenzene-1-sulfonate; iodine; In water; acetonitrile; at 65 ℃; for 12h;

DOI:10.1002/ejoc.201201064

Reference yield: 71.0%

1,2,4,5-tetramethylbenzene (95-93-2) → 2,3,5,6-tetramethyliodobenzene (2100-25-6) + 1,4-diiodo-2,3,5,6-tetramethylbenzene (3268-21-1)

Guidance literature:

With hydrogenchloride; α,α,α-trifluorotoluene; dihydrogen peroxide; iodine; In 2,2,2-trifluoroethanol; water; at 20 ℃; for 12h;

DOI:10.1002/adsc.201300127

Reference yield: 32.0%

naphthalene (91-20-3,71998-51-1,72931-45-4) + 1,3,5-trimethyl-benzene (108-67-8) → 2,3,5,6-tetramethyliodobenzene (2100-25-6) + 1,1'-bisnaphthalene (604-53-5) + 1-(2,4,6-trimethylphenyl)naphthalene (22187-05-9) + 1-Iodonaphthalene (90-14-2)

Guidance literature:

With boron trifluoride diethyl etherate; potassium iodide; thallium(III) trifluoroacetate; Product distribution; multistep reaction, influence of time and reagents;

DOI:10.1021/ja00541a020

upstream raw materials:

1,2,4,5-tetramethylbenzene

1,2,4,5-tetramethyl-3,6-dihydrobenzene

naphthalene

1,3,5-trimethyl-benzene

Downstream raw materials:

3-(2,2,2-trifluoroethoxy)-1,2,4,5-tetramethylbenzene

1,2,4,5-Tetramethyl-3-phenylselanyl-benzene

(2,3,5,6-tetramethylphenyl)-λ³-iodanediyl diacetate

Benzenesulfonyl-(2,3,5,6-tetramethyl-phenyl)-acetonitrile

Refernces

• 1、 Jin, Zuxi,Lu, Yunguo,Li, Shixi,Li, Zaoying. "Synthesis and structure of a novel alkynyl-containing disulfide compound as cathode materials for secondary lithium batteries". . p. 82 - 88. Retrieved 2014.
• 2、 Horiuchi, C. Akira,Satoh, J. Yasuo. "A Convenient Procedure for Iodination of Electron-rich Aromatic Compounds using Iodine-Copper(II) Acetate". . p. 2691 - 2692. Retrieved 1984.
• 3、 Bedrac, Leon,Iskra, Jernej. "Iodine(I) reagents in hydrochloric acid-catalyzed oxidative iodination of aromatic compounds by hydrogen peroxide and iodine". supporting information. p. 1243 - 1248. Retrieved 2013/06/27.