1-Iodo-2,5-dimethoxy-4-methylbenzene

Base Information

• Chemical Name: 1-Iodo-2,5-dimethoxy-4-methylbenzene
• CAS No.: 75056-76-7
• Molecular Formula: C9H11 I O2
• Molecular Weight: 278.09
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10369498
• Nikkaji Number: J628.788C
• Wikidata: Q82156609
• Mol file: 75056-76-7.mol

Synonyms:1-iodo-2,5-dimethoxy-4-methylbenzene;75056-76-7;2,5-Dimethoxy-4-iodotoluene;1-Iodo-2,5-Dimethoxy-4-Methyl-Benzene;Maybridge1_006616;SCHEMBL7139169;HMS560E16;DTXSID10369498;MFCD00092757;1,4-Dimethoxy-2-methyl-5-iodobenzene;CCG-247404;BP-10984;MS-22115;CS-0190648;FT-0618763;E89397;EN300-7404757;1-iodo-2,5-dimethoxy-4-methylbenzene, AldrichCPR;A838312;Z1269205185

Chemical Property of 1-Iodo-2,5-dimethoxy-4-methylbenzene

Chemical Property:

• Vapor Pressure: 0.0012mmHg at 25°C
• Melting Point: 84-86
• Refractive Index: 1.566
• Boiling Point: 308.9°C at 760 mmHg
• Flash Point: 140.6°C
• PSA: 18.46000
• Density: 1.581g/cm³
• LogP: 2.61680
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 277.98038
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

2,5-Dimethoxy-4-iodotoluene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1OC)I)OC

Technology Process of 1-Iodo-2,5-dimethoxy-4-methylbenzene

There total 4 articles about 1-Iodo-2,5-dimethoxy-4-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: 91.0%

2,5-dimethoxy toluene (24599-58-4) → 1-iodo-2,5-dimethoxy-4-methylbenzene (75056-76-7)

Guidance literature:

With sulfuric acid; iodine; iodic acid; In water; acetic acid; at 70 ℃; for 12h;

DOI:10.1021/ja9743811

Reference yield:

→ 1-iodo-2,5-dimethoxy-4-methylbenzene (75056-76-7)

Guidance literature:

With hydrogenchloride; potassium iodide; auf Siedetemperatur;

DOI:10.1021/ja01233a042

Reference yield:

1-bromo-2,4,5-trimethoxybenzene (20129-11-7) + sodium 2,2,2-trifluoroacetate (2923-18-4) → 1-iodo-2,5-dimethoxy-4-methylbenzene (75056-76-7) + 1,2,4-trimethoxy-5-(trifluoromethyl)benzene + 2,2',4,4',5,5'-hexamethoxydiphenyl ether

Guidance literature:

With copper(l) iodide; In N,N-dimethyl acetamide; toluene; at 152 - 153 ℃; Yield given. Yields of byproduct given;

upstream raw materials:

2,5-dimethoxy toluene

1-bromo-2,4,5-trimethoxybenzene

sodium 2,2,2-trifluoroacetate

iodine

Downstream raw materials:

4-methyl-2,5-dimethoxy-benzoic acid

1,4-dimethoxy-2-methyl-5-nitrobenzene

3-(2,5-dimethoxy-4-methyl-phenyl)-prop-2-yn-1-ol

2-iodo-5-methylbenzene-1,4-diol