2-Iodo-4-methoxyphenol

Base Information

• Chemical Name: 2-Iodo-4-methoxyphenol
• CAS No.: 312534-71-7
• Molecular Formula: C7H7IO2
• Molecular Weight: 250.036
• Hs Code.: 2909500090
• DSSTox Substance ID: DTXSID50463449
• Nikkaji Number: J1.485.856C
• Wikidata: Q82288329
• Mol file: 312534-71-7.mol

Synonyms:2-IODO-4-METHOXYPHENOL;312534-71-7;Phenol, 2-iodo-4-methoxy-;SCHEMBL9640062;DTXSID50463449;MB07821

Chemical Property of 2-Iodo-4-methoxyphenol

Chemical Property:

• Melting Point: 61-62 °C
• Boiling Point: 258.1±20.0 °C(Predicted)
• PKA: 9.00±0.18(Predicted)
• PSA: 29.46000
• Density: 1.866±0.06 g/cm3(Predicted)
• LogP: 2.00540
• XLogP3: 2.2
• 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:

2-iodo-4-methoxyphenol 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Iodo-4-methoxyphenol

There total 5 articles about 2-Iodo-4-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: 98.0%

4-methoxy-phenol (150-76-5) → 2-iodo-4-methoxyl-phenol (312534-71-7)

Guidance literature:

With trichloroisocyanuric acid; iodine; In dichloromethane; at 20 ℃;

DOI:10.1590/S0103-50532010000100002

Reference yield: 91.0%

2-iodo-4-methoxy-1-(methoxymethoxy)benzene → 2-iodo-4-methoxyl-phenol (312534-71-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 20 ℃; for 6h;

DOI:10.1021/acs.joc.9b02965

Reference yield:

N,N-diethyl-O-(4-methoxyphenyl)carbamate (85630-18-8) → 2-iodo-4-methoxyl-phenol (312534-71-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N,N,N',N'-tetramethylethylenediamine; sec-BuLi / tetrahydrofuran / 1.5 h / -78 °C

1.2: I₂ / tetrahydrofuran / 0.5 h / -78 °C

2.1: 2N aq. NaOH / methanol / 96 h / Heating

With sodium hydroxide; N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium; In tetrahydrofuran; methanol;

DOI:10.1021/ja0021060

upstream raw materials:

4-methoxy-phenol

1,4-dimethoxybezene

N,N-diethyl-O-(4-methoxyphenyl)carbamate

2-bromo-4-methoxy-1-(methoxymethoxy)-benzene

Downstream raw materials:

2-(2-phenylethyl)-4-methoxyphenol

C₁₇H₁₆O₄

C₁₇H₁₈O₄