Sedanonic acid

Base Information

• Chemical Name: Sedanonic acid
• CAS No.: 6697-07-0
• Molecular Formula: C12H18 O3
• Molecular Weight: 210.273
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID80494564
• Metabolomics Workbench ID: 45762
• Nikkaji Number: J167.329G
• Mol file: 6697-07-0.mol

Synonyms:Sedanonic acid;6697-07-0;6-pentanoylcyclohexene-1-carboxylic acid;6-PENTANOYLCYCLOHEX-1-ENE-1-CARBOXYLIC ACID;DTXSID80494564;CHEBI:142275;PD118949;6-(1-oxopentyl)-1-cyclohexene-1-carboxylic acid;6-(1-Oxopentyl)-1-cyclohexene-1-carboxylic acid, 9CI

Chemical Property of Sedanonic acid

Chemical Property:

• PSA: 54.37000
• LogP: 2.55680
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 210.125594432
• Heavy Atom Count: 15
• Complexity: 279

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)C1CCCC=C1C(=O)O

Technology Process of Sedanonic acid

There total 1 articles about Sedanonic 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:

→ sedanonic acid (6697-07-0)

Guidance literature:

Sedanenolid 11, KOH, Na2CO3;

DOI:10.1021/jo00433a033

Reference yield:

sedanonic acid (6697-07-0) → butylphthalide (3413-15-8,6066-49-5,93133-67-6,125412-70-6)

Guidance literature:

at 340 ℃;

Reference yield:

sedanonic acid (6697-07-0) → 1,5-pentanedioic acid (110-94-1) + oxalic acid (144-62-7,97993-78-7) + valeric acid (109-52-4)

Guidance literature:

Downstream raw materials:

6-valeryl-cyclohex-1-enecarboxylic acid methyl ester

2-(1-hydroxy-pentyl)-cyclohexane-carboxylic acid-⁽¹⁾

2-valeryl-cyclohexanecarboxylic acid

butylphthalide