1-Iodo-2,3-dimethoxybenzene

Base Information

• Chemical Name: 1-Iodo-2,3-dimethoxybenzene
• CAS No.: 25245-33-4
• Molecular Formula: C8H9IO2
• Molecular Weight: 264.063
• Hs Code.: 2909309090
• European Community (EC) Number: 675-295-8
• DSSTox Substance ID: DTXSID30374761
• Nikkaji Number: J562.489D
• Wikidata: Q82163326
• Mol file: 25245-33-4.mol

Synonyms:1-iodo-2,3-dimethoxybenzene;25245-33-4;dimethoxyiodobenzene;Benzene,1-iodo-2,3-dimethoxy-;Benzene, 1-iodo-2,3-dimethoxy-;3-iodo-1,2-dimethoxybenzene;1,2-Dimethoxy-3-iodobenzene;1-iodo-2,3-dimethoxy-benzene;SCHEMBL4156068;1-iodanyl-2,3-dimethoxy-benzene;DTXSID30374761;CAVUOSIEYKUTNJ-UHFFFAOYSA-N;1-iodo-2,3-bis(methyloxy)benzene;MFCD05864318;AKOS016008918;FS-5098;AM803584;CS-0217306;FT-0718672;EN300-734265;A817734;J-015888;Z1269125154

Chemical Property of 1-Iodo-2,3-dimethoxybenzene

Chemical Property:

• Melting Point: 43-45 °C
• Refractive Index: 1.6127
• Boiling Point: 274.5 °C at 760 mmHg
• Flash Point: 119.8 °C
• PSA: 18.46000
• Density: 1.655 g/cm³
• LogP: 2.30840
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 263.96473
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)I)OC
• Uses: 1-Iodo-2,3-dimethoxybenzene is used in the preparation of fused heterocyclic amido compounds as a potential anti hepatitis C virus agents.

Technology Process of 1-Iodo-2,3-dimethoxybenzene

There total 9 articles about 1-Iodo-2,3-dimethoxybenzene 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: 94.0%

1,2-dimethoxybenzene (91-16-7) → 1-iodo-2,3-dimethoxybenzene (25245-33-4)

Guidance literature:

With sodium periodate; sulfuric acid; dihydrogen peroxide; In ethanol; water; at 50 ℃; for 0.5h;

Reference yield: 80.0%

1-trimethylsilyl-2,3-dimethoxybenzene (92669-91-5) → 1-iodo-2,3-dimethoxybenzene (25245-33-4)

Guidance literature:

With Iodine monochloride; at 0 ℃; for 24h; Inert atmosphere;

DOI:10.1039/b714291a

Reference yield: 76.0%

1,2-dimethoxybenzene (91-16-7) → 2,2',3,3'-tetramethoxy-1,1'-biphenyl (4433-18-5) + 1-iodo-2,3-dimethoxybenzene (25245-33-4)

Guidance literature:

1,2-dimethoxybenzene; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; cobalt(II) bromide; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 0.5h;

With iodine; In tetrahydrofuran; hexane; at 20 ℃; for 2h;

With water; sodium thiosulfate; In tetrahydrofuran; hexane;

DOI:10.1016/j.tet.2010.09.053

upstream raw materials:

1,2-dimethoxybenzene

5-iodomethyl-dihydro-furan-2-one

2,3-dimethoxybenzamide

6-methoxy-2-nitrophenol

Downstream raw materials:

(2,3-Dimethoxy-phenyl)-cyanessigsaeureethylester

3-(cyclohex-2-en-1-yl)-1,2-dimethoxybenzene

2,3-dimethyoxybenzaldehyde

C₃₄H₃₈O₆

Refernces

• 1、 -. "THIOXANTHONE DERIVATIVES, COMPOSITION COMPRISING THE SAME AND PATTERN FORMING METHOD COMPRISING SAID COMPOSITION". Paragraph 0130. . Retrieved 2020/02/14.
• 2、 Baillie, Sharon E.,Bluemke, Tobias D.,Clegg, William,Kennedy, Alan R.,Klett, Jan,Russo, Luca,De Tullio, Marco,Hevia, Eva. "Potassium-alkyl magnesiates: Synthesis, structures and Mg-H exchange applications of aromatic and heterocyclic substrates". supporting information. p. 12859 - 12862. Retrieved 2014/12/11.