136808-72-5 | 5-Chloro-2-iodophenol

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$20.00	$14.00
5g	98%	in stock	$99.00	$70.00
10g	98%	in stock	$197.00	$138.00

Description

• Catalog Number: AA49555
• Chemical Name: 5-Chloro-2-iodophenol
• CAS Number: 136808-72-5
• Molecular Formula: C6H4ClIO
• Molecular Weight: 254.4528
• MDL Number: MFCD09753473
• SMILES: Clc1ccc(c(c1)O)I

Computed Properties

• Complexity: 99.1
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• XLogP3: 2.9

Upstream Synthesis Route

To synthesize 5-Chloro-2-iodophenol, one could start with an appropriate di-substituted benzene derivative such as 1,4-dichlorobenzene as the starting material. The synthesis would consist of the following steps:

1. Nitration: Treat 1,4-dichlorobenzene with nitric acid and sulfuric acid to introduce a nitro group, yielding 4-chloro-3-nitrochlorobenzene.

2. Reduction: The nitro group is then reduced to an amine using iron filings and hydrochloric acid, or another suitable reducing agent, to obtain 4-chloro-3-aminophenol.

3. Protection of the amino group: React the aminophenol with a protecting group such as acetyl chloride to prevent further reactions on the amino group, yielding 4-chloro-3-acetamidophenol.

4. Halogen exchange: The 4-chloro substituent can then be substituted with an iodine using a halogen exchange reaction. This could be achieved with copper(I) iodide or sodium iodide in the presence of an oxidant or by other halogen exchange reagents, resulting in 3-acetamido-5-iodophenol.

5. Deprotection: Finally, remove the protecting acetyl group using hydrochloric acid or another suitable deprotection agent to yield the final product 5-chloro-2-iodophenol.

This synthetic route must be carefully controlled at each step, ensuring the correct reagents and conditions are employed to achieve the desired substitutions without overreaction or damage to the aromatic ring.