5-(Hydroxymethyl)-2-iodophenol

Base Information

• Chemical Name: 5-(Hydroxymethyl)-2-iodophenol
• CAS No.: 773869-57-1
• Molecular Formula: C7H7 I O2
• Molecular Weight: 250.036
• Hs Code.: 2908199090
• European Community (EC) Number: 811-489-2
• DSSTox Substance ID: DTXSID70594688
• Wikidata: Q72485306
• Mol file: 773869-57-1.mol

Synonyms:5-(hydroxymethyl)-2-iodophenol;773869-57-1;3-Hydroxy-4-iodobenzyl alcohol;BENZENEMETHANOL, 3-HYDROXY-4-IODO-;5-(hydroxymethyl)-2-iodo-phenol;Benzenemethanol,3-hydroxy-4-iodo-;SCHEMBL513349;5-Hydroxymethyl-2-iodo-phenol;DTXSID70594688;VIWWSAGABDIIFF-UHFFFAOYSA-N;MFCD06202863;3-HYDROXY-4-IODOBENZYLALCOHOL;AKOS015889932;AC-4646;CS-W018963;DS-17437;DB-075305;EN300-1707306;A839075;Z1269159331

Chemical Property of 5-(Hydroxymethyl)-2-iodophenol

Chemical Property:

• Appearance/Colour: light yellow
• Vapor Pressure: 0.00271mmHg at 25°C
• Melting Point: 148ºC
• Boiling Point: 273.9 ºC at 760 mmHg
• Flash Point: 119.5 ºC
• PSA: 40.46000
• Density: 2.02 g/cm³
• LogP: 1.48910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 249.94908
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

5-(Hydroxymethyl)-2-iodophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)O)I

Technology Process of 5-(Hydroxymethyl)-2-iodophenol

There total 1 articles about 5-(Hydroxymethyl)-2-iodophenol 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: 88.0%

3-hydroxy-4-iodobenzoic acid (58123-77-6) → 3-hydroxy-4-iodobenzyl alcohol (773869-57-1)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 60 ℃; for 2h;

Reference yield: 93.0%

3-hydroxy-4-iodobenzyl alcohol (773869-57-1) + benzyl bromide (100-39-0) → (3-(benzyloxy)-4-iodophenyl)methanol (877064-78-3)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Reflux;

DOI:10.1021/ol902952h

Reference yield: 92.0%

3-hydroxy-4-iodobenzyl alcohol (773869-57-1) + benzyl chloride (100-44-7) → (3-(benzyloxy)-4-iodophenyl)methanol (877064-78-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 130 ℃; for 2h;

DOI:10.1021/jm400770g

upstream raw materials:

3-hydroxy-4-iodobenzoic acid

Downstream raw materials:

(3-(benzyloxy)-4-iodophenyl)methanol

ethyl 3-[5-(hydroxymethyl)-2-iodophenoxy]prop-2-enoate

ethyl 3-[5-(1[tert-butyl(dimethyl)silyl]oxylmethyl)-2-iodophenoxy]prop-2-enoate

1-{6-[(4-ethoxyphenoxy)methyl]-1-benzofuran-3-yl}ethanone

Refernces