1-Iodo-2-methoxy-4,5-dimethylbenzene

Base Information

• Chemical Name: 1-Iodo-2-methoxy-4,5-dimethylbenzene
• CAS No.: 50772-82-2
• Molecular Formula: C9H11 I O
• Molecular Weight: 262.09
• Hs Code.: 2909309090
• European Community (EC) Number: 853-747-7
• DSSTox Substance ID: DTXSID50556027
• Wikidata: Q82437494
• Mol file: 50772-82-2.mol

Synonyms:1-iodo-2-methoxy-4,5-dimethylbenzene;50772-82-2;1-IODO-4,5-DIMETHYL-2-METHOXYBENZENE;Benzene,1-iodo-2-methoxy-4,5-dimethyl-;DTXSID50556027;G49570;EN300-25091020;Z1269173674

Chemical Property of 1-Iodo-2-methoxy-4,5-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: 127

Purity/Quality:

99% ^*data from raw suppliers

1-IODO-4,5-DIMETHYL-2-METHOXYBENZENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)I)OC

Technology Process of 1-Iodo-2-methoxy-4,5-dimethylbenzene

There total 3 articles about 1-Iodo-2-methoxy-4,5-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: 92.0%

3,4-dimethylanisole (4685-47-6) → 2-iodo-4,5-dimethyl-anisole (50772-82-2)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; zinc(II) chloride; In acetic acid; for 0.5h; Ambient temperature;

DOI:10.1246/cl.1988.795

Reference yield:

(2-methoxy-4,5-dimethyl-phenyl)-phenyl-diazene → 2-iodo-4,5-dimethyl-anisole (50772-82-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium dithionite; aqueous ethanol

2: aqueous H₂SO₄; NaNO₂ / Diazotization_.Erwaermen der erhaltenen Diazoniumsalz-Loesung mit KI auf dem Dampfbad

With sodium dithionite; ethanol; sulfuric acid; sodium nitrite;

Reference yield:

4,5-dimethyl-2-nitro-anisole (18087-11-1) → 2-iodo-4,5-dimethyl-anisole (50772-82-2)

Guidance literature:

Multi-step reaction with 2 steps

1: Raney nickel; ethanol

2: aqueous H₂SO₄; NaNO₂ / Diazotization_.Erwaermen der erhaltenen Diazoniumsalz-Loesung mit KI auf dem Dampfbad

With ethanol; sulfuric acid; nickel; sodium nitrite;

DOI:10.1039/jr9590002813

upstream raw materials:

3,4-dimethylanisole

4,5-dimethyl-2-nitro-anisole

Downstream raw materials:

4-iodo-5-methoxy-phthalic acid