1-Iodo-3-methoxy-2-methylbenzene

Base Information

• Chemical Name: 1-Iodo-3-methoxy-2-methylbenzene
• CAS No.: 21093-09-4
• Molecular Formula: C8H9IO
• Molecular Weight: 248.06093
• European Community (EC) Number: 870-841-3
• Mol file: 21093-09-4.mol

Synonyms:1-iodo-3-methoxy-2-methylbenzene;21093-09-4;3-methoxy-2-methyliodobenzene;SCHEMBL5520000;MFCD01833807;FT-0706246;F87859;EN300-7653674;Z1269190043

Chemical Property of 1-Iodo-3-methoxy-2-methylbenzene

Chemical Property:

• Boiling Point: 200 °C(Press: 19 Torr)
• PSA: 9.23000
• Density: 1.634±0.06 g/cm3(Predicted)
• LogP: 2.60820
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 247.96981
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

1-Iodo-3-methoxy-2-methyl-benzene ＞95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1I)OC

Technology Process of 1-Iodo-3-methoxy-2-methylbenzene

There total 3 articles about 1-Iodo-3-methoxy-2-methylbenzene 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: 84.0%

bis(acetyloxy)(3-methoxy-2-methylphenyl)-λ3-iodane + allyl-trimethyl-silane (762-72-1) → 2-iodo-4-methoxy-3-methyl-1-(prop-2-en-1-yl)benzene + 1-iodo-3-methoxy-2-methylbenzene (21093-09-4)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; acetonitrile; at -50 ℃; for 2h; Inert atmosphere;

DOI:10.1002/chem.201202049

Reference yield: 70.0%

2-methyl-3-methoxyaniline (19500-02-8) → 1-iodo-3-methoxy-2-methylbenzene (21093-09-4)

Guidance literature:

2-methyl-3-methoxyaniline; With hydrogenchloride; sodium nitrite; In tetrahydrofuran; water; at 0 ℃; for 0.333333h; Inert atmosphere;

With potassium iodide; In tetrahydrofuran; water; at 0 ℃; for 24h; Inert atmosphere;

DOI:10.1002/chem.201202049

Reference yield:

→ 1-iodo-3-methoxy-2-methylbenzene (21093-09-4)

Guidance literature:

2-Amino-6-methoxy-toluol, HNO2, KI;

upstream raw materials:

allyl-trimethyl-silane

2-methyl-3-methoxyaniline

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