5-(Methoxycarbonyl)isophthalic acid

Base Information

• Chemical Name: 5-(Methoxycarbonyl)isophthalic acid
• CAS No.: 18263-95-1
• Molecular Formula: C₁₀H₈O₆
• Molecular Weight: 224.17
• European Community (EC) Number: 968-258-5
• Nikkaji Number: J2.070.698H
• Mol file: 18263-95-1.mol

Synonyms:5-(Methoxycarbonyl)isophthalic acid;18263-95-1;5-(methoxycarbonyl)benzene-1,3-dicarboxylic acid;5-methoxycarbonyl-benzene-1,3-dicarboxylic acid;SCHEMBL9121827;5-(Methoxycarbonyl)isophthalicacid;EN300-211159

Chemical Property of 5-(Methoxycarbonyl)isophthalic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 224.03208797
• Heavy Atom Count: 16
• Complexity: 288

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-(Methoxycarbonyl)isophthalic acid

There total 7 articles about 5-(Methoxycarbonyl)isophthalic acid 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: 83.0%

1,3,5-tris-(methoxycarbonyl)benzene (2672-58-4) → 3,5-bis(methoxycarbonyl)benzoic acid (38588-64-6) + 3,5-dicarboxylic acid-1-benzoic acid methyl ester (18263-95-1)

Guidance literature:

With water; sodium hydroxide; In methanol; for 8h;

Reference yield: 79.0%

1,3,5-tris-(methoxycarbonyl)benzene (2672-58-4) → 3,5-dicarboxylic acid-1-benzoic acid methyl ester (18263-95-1)

Guidance literature:

1,3,5-tris-(methoxycarbonyl)benzene; With sodium hydroxide; In methanol; water; at 20 ℃; for 15h;

With hydrogenchloride; water; pH=Ca. 2; chemoselective reaction;

DOI:10.1016/j.tetlet.2010.11.016

Reference yield:

methanol (67-56-1) + benzene-1,3,5-tricarboxylic acid (554-95-0) → 1,3,5-tris-(methoxycarbonyl)benzene (2672-58-4) + 3,5-bis(methoxycarbonyl)benzoic acid (38588-64-6) + 3,5-dicarboxylic acid-1-benzoic acid methyl ester (18263-95-1)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 1h;

DOI:10.1021/ic502697y

upstream raw materials:

methyl coumalate

1,3,5-tris-(methoxycarbonyl)benzene

methanol

benzene-1,3,5-tricarboxylic acid

Downstream raw materials:

5-methoxycarbonyl-benzene-1,3-dicarbonyl dichloride

3,5-bis(hydroxylmethyl)benzoic acid

3,5-bis[(2-methoxyacetoxy)methyl]benzoic acid