4-(2-Oxocyclohexyl)butanoic acid

Base Information

• Chemical Name: 4-(2-Oxocyclohexyl)butanoic acid
• CAS No.: 1838-60-4
• Molecular Formula: C10H16O3
• Molecular Weight: 184.235
• DSSTox Substance ID: DTXSID00441696
• Nikkaji Number: J906.698E
• Mol file: 1838-60-4.mol

Synonyms:4-(2-oxocyclohexyl)butanoic acid;1838-60-4;Cyclohexanebutanoic acid, 2-oxo-;2-Oxocyclohexanebutyric acid;SCHEMBL3824083;DTXSID00441696;4-(2-oxo-cyclohexyl)-butyric acid

Chemical Property of 4-(2-Oxocyclohexyl)butanoic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 184.109944368
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)CCCC(=O)O

Technology Process of 4-(2-Oxocyclohexyl)butanoic acid

There total 9 articles about 4-(2-Oxocyclohexyl)butanoic 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:

ethyl 1-(3-(ethoxycarbonyl)propyl)-2-oxocyclohexanecarboxylate (124355-49-3) → 4-(2-oxo-cyclohexyl)-butyric acid (1838-60-4)

Guidance literature:

With sodium hydroxide; anschliessendes Ansaeuern;

DOI:10.1021/ja01855a602

Reference yield:

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 4-(2-oxo-cyclohexyl)-butyric acid (1838-60-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NaI, NaOEt

2: aq. HCl / acetic acid

With hydrogenchloride; sodium ethanolate; sodium iodide; In acetic acid;

Reference yield:

tetralin (119-64-2) → 1,6-cyclodecanedione (38734-05-3) + 4-(2-oxo-cyclohexyl)-butyric acid (1838-60-4) + (S)-8a-Hydroxy-octahydro-azulen-4-one (57479-39-7)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1021/jo00174a025

upstream raw materials:

ethyl 1-(3-(ethoxycarbonyl)propyl)-2-oxocyclohexanecarboxylate

trans-1-decalone

tetralin

ethyl 1-(3-cyanopropyl)-2-oxocyclohexanecarboxylate

Downstream raw materials:

4-cyclohexylbutanoic acid

Spiro<4.5>decan-1,6-dion

γ-<2-Hydroxy-cyclohexyl>-buttersaeure

1-Oxo-2-(4-oxobutyl)-cyclohexan