4-Iodo-2-methoxybenzyl alcohol

Base Information

• Chemical Name: 4-Iodo-2-methoxybenzyl alcohol
• CAS No.: 210037-23-3
• Molecular Formula: C8H9IO2
• Molecular Weight: 264.063
• Hs Code.: 2909498090
• DSSTox Substance ID: DTXSID40596179
• Wikidata: Q82491366
• Mol file: 210037-23-3.mol

Synonyms:4-IODO-2-METHOXYBENZYL ALCOHOL;210037-23-3;(4-iodo-2-methoxyphenyl)methanol;2-Methoxy-4-iodo-benzylalcohol;4-IODO-2-METHOXYBENZYLALCOHOL;SCHEMBL8149615;DTXSID40596179;NEZVZZZEJYGUPB-UHFFFAOYSA-N;DA-08294

Chemical Property of 4-Iodo-2-methoxybenzyl alcohol

Chemical Property:

• PSA: 29.46000
• LogP: 1.79210
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 263.96473
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

4-Iodo-2-methoxybenzyl alcohol ^*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)CO

Technology Process of 4-Iodo-2-methoxybenzyl alcohol

There total 3 articles about 4-Iodo-2-methoxybenzyl alcohol 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: 100.0%

4-iodo-2-methoxybenzoic acid-methyl ester (148490-97-5) → (4-iodo-2-methoxyphenyl)methanol (210037-23-3)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; cyclohexane; at -78 - 25 ℃; for 13h;

Reference yield:

2-Hydroxy-4-iodo-benzylalcohol (166386-81-8) → (4-iodo-2-methoxyphenyl)methanol (210037-23-3)

Guidance literature:

In ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

4-iodosalicylic acid (16870-28-3) → (4-iodo-2-methoxyphenyl)methanol (210037-23-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 20 h / 60 °C / Inert atmosphere

2: diisobutylaluminium hydride / tetrahydrofuran / -78 - 25 °C / Inert atmosphere

With diisobutylaluminium hydride; potassium carbonate; In tetrahydrofuran; acetone;

DOI:10.1021/ja107193j

upstream raw materials:

4-iodo-2-methoxybenzoic acid-methyl ester

2-Hydroxy-4-iodo-benzylalcohol

4-iodosalicylic acid

Downstream raw materials:

4-iodo-2-methoxybenzaldehyde

4-Iodo-2-methoxy-1-((E)-2-nitro-propenyl)-benzene

(+/-)-1-(4-iodo-2-methoxyphenyl)-2-aminopropane

BF₂(NC₄H(CH₃)2)2CC₆H₃OCH₃C₂H