5-Iodo-1,2,3-trimethoxybenzene

Base Information

• Chemical Name: 5-Iodo-1,2,3-trimethoxybenzene
• CAS No.: 25245-29-8
• Molecular Formula: C9H11IO3
• Molecular Weight: 294.089
• Hs Code.: 29093090
• European Community (EC) Number: 626-415-2
• NSC Number: 169997
• DSSTox Substance ID: DTXSID20305241
• Nikkaji Number: J524.255J
• Wikidata: Q82051813
• Mol file: 25245-29-8.mol

Synonyms:5-Iodo-1,2,3-trimethoxybenzene;25245-29-8;3,4,5-trimethoxyiodobenzene;MFCD01318153;Benzene, 5-iodo-1,2,3-trimethoxy-;NSC169997;SCHEMBL210358;3,4,5-trimethoxy-iodobenzene;3,4,5-trimethoxyphenyl iodide;C9H11IO3;3,4,5-trimethoxy-iodo-benzene;1-iodo-3,4,5-trimethoxybenzene;DTXSID20305241;IWPMQXOVTMABLF-UHFFFAOYSA-N;5-Iodo-1,2,3-trimethoxy-benzene;ZB0681;5-iodanyl-1,2,3-trimethoxy-benzene;AKOS005255098;NSC-169997;DS-11511;CS-0059273;FT-0620503;A817733;AE-641/00004058;5-Iodo-1,2,3-trimethoxybenzene, >=97.0% (GC)

Chemical Property of 5-Iodo-1,2,3-trimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.00096mmHg at 25°C
• Melting Point: 85-87°C
• Refractive Index: 1.558
• Boiling Point: 312.6 °C at 760 mmHg
• Flash Point: 142.9 °C
• PSA: 27.69000
• Density: 1.602 g/cm³
• LogP: 2.31700
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Water Solubility.: Insoluble in water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 293.97529
• Heavy Atom Count: 13
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

5-Iodo-1,2,3-trimethoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 24/25-36/37-26

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)I
• Uses: 5-Iodo-1,2,3-trimethoxybenzene is used as a primary and secondary intermediate in organic synthesis.

Technology Process of 5-Iodo-1,2,3-trimethoxybenzene

There total 12 articles about 5-Iodo-1,2,3-trimethoxybenzene 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: 99.0%

3,4,5-trimethoxyphenylboronic Acid (182163-96-8) → 5-iodo-1,2,3-trimethoxybenzene (25245-29-8)

Guidance literature:

With N-iodo-succinimide; potassium acetate; In acetonitrile; at 50 ℃; for 4h;

DOI:10.1021/acs.orglett.9b00942

Reference yield: 97.0%

triethyl(3,4,5-trimethoxyphenyl)germane → 5-iodo-1,2,3-trimethoxybenzene (25245-29-8)

Guidance literature:

With N-iodo-succinimide; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

DOI:10.1002/anie.202008372

Reference yield: 94.0%

1-bromo-3,4,5-trimethoxybenzene (2675-79-8) → 5-iodo-1,2,3-trimethoxybenzene (25245-29-8)

Guidance literature:

With copper(l) iodide; (R,R)-N,N'-dimethyl-1,2-diaminocyclohexane; sodium iodide; In 1,4-dioxane; dichloromethane; at 180 ℃; for 0.5h; under 9050.33 Torr; Flow reactor; Inert atmosphere;

DOI:10.1002/anie.201409595

upstream raw materials:

3,4,5-Trimethoxybenzoyl chloride

3,4,5-Trimethoxyaniline

Eudesmic acid

3,4,5-trimethoxy-1-nitrobenzene

Downstream raw materials:

N-tert-Butyl-N-(3,4,5-trimethoxy-phenyl)-hydroxylamine

2-(3,4,5-Trimethoxy-phenyl)-2,3-dihydro-furan

5-{(E)-3-[3-(3,4,5-Trimethoxy-phenyl)-prop-2-ynyloxy]-propenyl}-benzo[1,3]dioxole

1,2,3-trimethoxybenzene