1-Iodo-2,3,4-trimethylbenzene

Base Information

• Chemical Name: 1-Iodo-2,3,4-trimethylbenzene
• CAS No.: 41381-33-3
• Molecular Formula: C9H11 I
• Molecular Weight: 246.091
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID70448910
• Nikkaji Number: J533.350D
• Mol file: 41381-33-3.mol

Synonyms:1-IODO-2,3,4-TRIMETHYLBENZENE;41381-33-3;SCHEMBL8527219;DTXSID70448910;MFCD03093265

Chemical Property of 1-Iodo-2,3,4-trimethylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.21640
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 245.99055
• Heavy Atom Count: 10
• Complexity: 111

Purity/Quality:

98.5% ^*data from raw suppliers

1-Iodo-2,3,4-trimethylbenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)I)C)C

Technology Process of 1-Iodo-2,3,4-trimethylbenzene

There total 2 articles about 1-Iodo-2,3,4-trimethylbenzene 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%

1,2,3-trimethylbenzene (526-73-8) → 1-iodo-2,3,4-trimethylbenzene (41381-33-3)

Guidance literature:

With iodine; mercury(II) nitrate; In dichloromethane; at 20 ℃; for 14h;

DOI:10.1016/S0040-4020(01)90424-7

Reference yield:

2,3,4-trimethylaniline (1467-35-2) → 1-iodo-2,3,4-trimethylbenzene (41381-33-3)

Guidance literature:

DOI:10.1246/bcsj.46.586

Reference yield: 93.0%

1-iodo-2,3,4-trimethylbenzene (41381-33-3) → 1,2-dibromo-3-iodo-4,5,6-trimethylbenzene

Guidance literature:

With benzyltrimethylazanium tribroman-2-uide; zinc(II) chloride; In acetic acid; at 70 ℃; for 78h;

DOI:10.1246/bcsj.62.439

upstream raw materials:

2,3,4-trimethylaniline

1,2,3-trimethylbenzene

Downstream raw materials:

4,5-Diiod-1,2,3-trimethylbenzol

2-(2,3,4-trimethylphenyl)pyridine

2-(2,3,4-Trimethyl-phenyl)-malononitrile

(2R,3S,5R)-2-Hydroxymethyl-5-(2,3,4-trimethyl-phenyl)-tetrahydro-furan-3-ol

Refernces

• 1、 Bachki, Abderrazak,Foubelo, Francisco,Yus, Miguel. "Aromatic iodination with the I2-HgX2 combination". . p. 5139 - 5146. Retrieved 2007/10/02.
• 2、 Muathen, H A. "Tetrabutylammoniumcerium(IV) nitrate: A mild oxidizing agent". . p. 522 - 524. Retrieved 2007/10/02.