1-Iodo-4-methoxy-2-methylbenzene

Base Information

• Chemical Name: 1-Iodo-4-methoxy-2-methylbenzene
• CAS No.: 63452-69-7
• Molecular Formula: C8H9IO
• Molecular Weight: 248.063
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID80521147
• Nikkaji Number: J436.244F
• Wikidata: Q82385463
• Mol file: 63452-69-7.mol

Synonyms:1-Iodo-4-methoxy-2-methylbenzene;63452-69-7;1-iodo-4-methoxy-2-methyl-benzene;4-iodo-3-methylanisole;SCHEMBL3545988;DTXSID80521147;QFUGOWDTHUONFO-UHFFFAOYSA-N;MFCD11101045;AKOS017562138;CS-0190644;EN300-140939;F73499;Z1269244593

Chemical Property of 1-Iodo-4-methoxy-2-methylbenzene

Chemical Property:

• Melting Point: 44-45 °C
• Boiling Point: 129-130 °C(Press: 12 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:

99% ^*data from raw suppliers

4-Iodo-3-methylanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Iodo-4-methoxy-2-methylbenzene

There total 4 articles about 1-Iodo-4-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:

pyridine (110-86-1) + iodine (7553-56-2,12190-71-5,8031-47-8) + nitric acid (7697-37-2,78989-43-2) + 1-methoxy-3-methyl-benzene (100-84-5) → 1-iodo-4-methoxy-2-methylbenzene (63452-69-7) + 1-iodo-2-methoxy-4-methylbenzene (186583-59-5) + 3-Methoxybenzoic acid (586-38-9)

Guidance literature:

at 165 ℃;

DOI:10.1021/ja01367a042

Reference yield:

1-methoxy-3-methyl-benzene (100-84-5) → 1-iodo-4-methoxy-2-methylbenzene (63452-69-7) + 1-iodo-2-methoxy-4-methylbenzene (186583-59-5)

Guidance literature:

With pyridine; iodine; nitric acid; at 165 ℃;

DOI:10.1021/ja01367a042

Reference yield:

1-methoxy-3-methyl-benzene (100-84-5) → 1-iodo-4-methoxy-2-methylbenzene (63452-69-7) + 1-iodo-2-methoxy-4-methylbenzene (186583-59-5) + 2,4-diiodo-5-methyl-methoxybenzene (117934-78-8)

Guidance literature:

With boron trifluoride diethyl etherate; potassium iodide; thallium(III) trifluoroacetate; Multistep reaction. Title compound not separated from byproducts; 1.) 1,2-dichloroethane, rt, 2.) 1,2-dichloroethane, rt, 1 h;

DOI:10.1016/S0022-328X(96)06338-3

upstream raw materials:

1-methoxy-3-methyl-benzene

pyridine

iodine

nitric acid

Downstream raw materials:

2-iodo-5-methoxybenzamide

2-(bromomethyl)-1-iodo-4-methoxybenzene

5-methoxy-2-phenylindole

Refernces

• 1、 Santos, M. L. dos,Magalhaes, G. C. de,Filho, R. Braz. "Electrophilic aromatic thallation of phenol ethers: an improved experimental procedure". . p. 15 - 20. Retrieved 2007/10/03.