2-Methoxycyclohexa-2,5-diene-1-carboxylic acid

Base Information

• Chemical Name: 2-Methoxycyclohexa-2,5-diene-1-carboxylic acid
• CAS No.: 25435-08-9
• Molecular Formula: C8H10O3
• Molecular Weight: 154.166
• DSSTox Substance ID: DTXSID10494431
• Mol file: 25435-08-9.mol

Synonyms:2-Methoxycyclohexa-2,5-diene-1-carboxylic acid;25435-08-9;DTXSID10494431

Chemical Property of 2-Methoxycyclohexa-2,5-diene-1-carboxylic acid

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CCC=CC1C(=O)O

Technology Process of 2-Methoxycyclohexa-2,5-diene-1-carboxylic acid

There total 2 articles about 2-Methoxycyclohexa-2,5-diene-1-carboxylic 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: 34.0%

ammonium chloride + 2-Methoxybenzoic acid (579-75-9) → 2-methoxy-cyclohexa-2,5-dienecarboxylic acid (25435-08-9) + SiO2 (7631-86-9,105269-70-3,1317-48-2,13778-37-5,14464-46-1,14808-60-7,14832-85-0,15468-32-3,17679-64-0,87347-84-0,92283-58-4,99439-28-8,15723-40-7)

Guidance literature:

With acetic acid; Ethane-1,2-diamine;

Reference yield:

2-Methoxybenzoic acid (579-75-9) → 2-methoxy-cyclohexa-2,5-dienecarboxylic acid (25435-08-9)

Guidance literature:

With methanol; ammonia; sodium;

DOI:10.1039/jr9570004419

Reference yield:

2-methoxy-cyclohexa-2,5-dienecarboxylic acid (25435-08-9) + 3-methyl-2-buten-1-ol (556-82-1) → 2-Methoxy-cyclohexa-2,5-dienecarboxylic acid 3-methyl-but-2-enyl ester (84565-73-1)

Guidance literature:

With methanesulfonyl chloride; triethylamine; In dichloromethane; at -20 ℃; for 6h;

DOI:10.1016/S0040-4039(00)87711-4

upstream raw materials:

2-Methoxybenzoic acid

Downstream raw materials:

2-Methoxy-cyclohexa-2,5-dienecarboxylic acid 3-methyl-but-2-enyl ester