2-Iodo-5-methoxy-1,3-dimethylbenzene

Base Information

• Chemical Name: 2-Iodo-5-methoxy-1,3-dimethylbenzene
• CAS No.: 90609-47-5
• Molecular Formula: C9H11 I O
• Molecular Weight: 262.09
• DSSTox Substance ID: DTXSID90563356
• Wikidata: Q82447780
• Mol file: 90609-47-5.mol

Synonyms:2-iodo-5-methoxy-1,3-dimethylbenzene;90609-47-5;1-IODO-2,6-DIMETHYL-4-METHOXYBENZENE;Benzene, 2-iodo-5-methoxy-1,3-dimethyl-;3,5-dimethyl-4-iodoanisole;SCHEMBL282134;DTXSID90563356;HHHQYOBWFSJKDJ-UHFFFAOYSA-N;O-Methyl-3,5-dimethyl-4-iodophenol

Chemical Property of 2-Iodo-5-methoxy-1,3-dimethylbenzene

Chemical Property:

• PSA: 9.23000
• LogP: 2.91660
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 261.98546
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

98.5% ^*data from raw suppliers

1-IODO-2,6-DIMETHYL-4-METHOXYBENZENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1I)C)OC

Technology Process of 2-Iodo-5-methoxy-1,3-dimethylbenzene

There total 5 articles about 2-Iodo-5-methoxy-1,3-dimethylbenzene 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: 96.0%

4-iodo-3,5-dimethylphenol (80826-86-4) + methyl iodide (74-88-4) → 1-iodo-2,6-dimethyl-4-methoxybenzene (90609-47-5)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 25 ℃; for 2h;

DOI:10.1016/j.tetlet.2007.11.013

Reference yield: 81.0%

2-bromo-5-methoxy-1,3-dimethyl-benzene (6267-34-1) → 1-iodo-2,6-dimethyl-4-methoxybenzene (90609-47-5)

Guidance literature:

2-bromo-5-methoxy-1,3-dimethyl-benzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

With iodine; at -78 - 20 ℃;

DOI:10.1039/c4sc01025f

Reference yield:

3,5-Dimethylphenol (108-68-9,50356-23-5) → 1-iodo-2,6-dimethyl-4-methoxybenzene (90609-47-5)

Guidance literature:

Multi-step reaction with 2 steps

1: KIO₃; iodine; aqueous KOH / anschliessendes Ansaeuern

2: aqueous NaOH

With potassium iodate; potassium hydroxide; sodium hydroxide; iodine;

upstream raw materials:

4-iodo-3,5-dimethylphenol

dimethyl sulfate

methyl iodide

3,5-Dimethylphenol

Downstream raw materials:

Methyl-(Z)-α-acetamido-β-(2,6-dimethyl-4methoxyphenyl) acrylate

3,5-dimethylmethoxybenzene

4-methoxy-2,6-dimethylbenzylaldehyde

H-Dmt