Methyl 5-chloro-3-formyl-2-hydroxybenzoate

Base Information

• Chemical Name: Methyl 5-chloro-3-formyl-2-hydroxybenzoate
• CAS No.: 87633-23-6
• Molecular Formula: C₉H₇ClO₄
• Molecular Weight: 214.605
• European Community (EC) Number: 887-964-3
• Mol file: 87633-23-6.mol

Synonyms:methyl 5-chloro-3-formyl-2-hydroxybenzoate;87633-23-6;SCHEMBL3221813;BKMPCMXOQXGTJN-UHFFFAOYSA-N;methyl5-chloro-3-formyl-2-hydroxybenzoate;EN300-342445;5-chloro-3-formyl-2-hydroxy-benzoic acid methyl ester;Z1513819167

Chemical Property of Methyl 5-chloro-3-formyl-2-hydroxybenzoate

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.0032864
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC(=C1O)C=O)Cl

Technology Process of Methyl 5-chloro-3-formyl-2-hydroxybenzoate

There total 5 articles about Methyl 5-chloro-3-formyl-2-hydroxybenzoate 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: 77.0%

hexamethylenetetramine (100-97-0) + methyl 5-chloro-2-hydroxybenzoate (4068-78-4) → methyl 5-chloro-3-formyl-2-hydroxybenzoate (87633-23-6)

Guidance literature:

With methanesulfonic acid; at 130 ℃; for 5h;

Reference yield: 56.0%

hexamethylenetetramine (100-97-0) + methyl 5-chloro-2-hydroxybenzoate (4068-78-4) → methyl 5-chloro-3-formyl-2-hydroxybenzoate (87633-23-6)

Guidance literature:

With methanesulfonic acid; at 0 - 130 ℃; for 5h; Inert atmosphere;

Reference yield: 32.0%

methanol (67-56-1) + 5-chloro-2-hydroxybenzoic acid (321-14-2) + trifluoroacetic acid (76-05-1) → methyl 5-chloro-3-formyl-2-hydroxybenzoate (87633-23-6)

Guidance literature:

5-chloro-2-hydroxybenzoic acid; trifluoroacetic acid; With hexamethylenetetramine; for 10h; Reflux;

With hydrogenchloride; In water; for 0.25h; Reflux;

methanol; With thionyl chloride; for 54h; Reflux;

upstream raw materials:

hexamethylenetetramine

methyl 5-chloro-2-hydroxybenzoate

5-chloro-3-formyl-2-hydroxybenzoic acid

methanol

Downstream raw materials:

methyl 5-chloro-2-(2-methoxy-2-oxoethoxy)-3-[(4-methylpiperazin-1-yl)methyl]benzoate

Refernces

• 1、 -. "ANTICANCER AGENT". Paragraph 0478. . Retrieved 2013/03/26.
• 2、 -. "Benzofuran derivative and processes for preparing the same". . . Retrieved 2008/06/13.