4-Iodo-2-methoxyphenol

Base Information

• Chemical Name: 4-Iodo-2-methoxyphenol
• CAS No.: 203861-62-5
• Molecular Formula: C7H7IO2
• Molecular Weight: 250.036
• Hs Code.: 2909500090
• European Community (EC) Number: 803-135-0
• DSSTox Substance ID: DTXSID10435728
• Nikkaji Number: J2.688.531K
• Mol file: 203861-62-5.mol

Synonyms:4-iodo-2-methoxyphenol;203861-62-5;Phenol, 4-iodo-2-methoxy-;5-Jodguajacol;2-methoxy-4-iodophenol;SCHEMBL742262;4-Iodo-2-methoxyphenol, 97%;DTXSID10435728;KJXYWMSTOWBZHC-UHFFFAOYSA-N;MFCD08061924;AKOS000276912;MB05217;CS-0150539;FT-0697973;EN300-199074

Chemical Property of 4-Iodo-2-methoxyphenol

Chemical Property:

• Melting Point: 37-40°C
• Boiling Point: 105-106 °C(Press: 0.010 Torr)
• PKA: 9.36±0.18(Predicted)
• PSA: 29.46000
• Density: 1.866±0.06 g/cm3(Predicted)
• LogP: 2.00540
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 249.94908
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Iodo-2-methoxyphenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)I)O

Technology Process of 4-Iodo-2-methoxyphenol

There total 5 articles about 4-Iodo-2-methoxyphenol 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: 93.0%

2-methoxy-phenol (90-05-1) → 2-methoxy-4-iodophenol (203861-62-5)

Guidance literature:

With N-iodo-succinimide; In various solvent(s); at 27 ℃; for 0.166667h;

DOI:10.1002/adsc.200303229

Reference yield: 66.0%

2-methoxy-phenol (90-05-1) → 2-methoxy-4-iodophenol (203861-62-5) + 2-iodo-6-methoxyphenol (111726-46-6)

Guidance literature:

With N-iodo-succinimide; toluene-4-sulfonic acid; In acetonitrile; at 20 ℃; for 14h; regioselective reaction;

DOI:10.1016/j.tetlet.2009.03.128

Reference yield: 53.0%

2-Methoxybenzoic acid (579-75-9) → 2-methoxy-4-iodophenol (203861-62-5)

Guidance literature:

With iodine; sodium hydroxide; In methanol; at -4 ℃; for 1h;

upstream raw materials:

2-methoxy-phenol

2-Methoxybenzoic acid

Downstream raw materials:

4-iodo-2-methoxy-6-(3-methyl-2-butenyl)phenol

3-methoxy-4-hydroxybenzonitrile

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

(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

Refernces

• 1、 Rita, Rita,Rahman, Mohamed Husaini Bin Abdul,Chong, Sherilyn Shi Min,Bates, Roderick W.. "Synthesis of the Proposed Structure of Afzeliindanone". supporting information. p. 1479 - 1481. Retrieved 2020/09/21.
• 2、 -. "Three white lignan and simplify structure, its preparation process and its pharmaceutical composition and use thereof". Paragraph 0081. . Retrieved 2017/01/17.