4-(Cyclohex-1-EN-1-YL)butanoic acid

Base Information

• Chemical Name: 4-(Cyclohex-1-EN-1-YL)butanoic acid
• CAS No.: 2826-55-3
• Molecular Formula: C10H16O2
• Molecular Weight: 168.236
• DSSTox Substance ID: DTXSID00506597
• Wikidata: Q82362424
• Mol file: 2826-55-3.mol

Synonyms:2826-55-3;4-(CYCLOHEX-1-EN-1-YL)BUTANOIC ACID;SCHEMBL987088;DTXSID00506597

Chemical Property of 4-(Cyclohex-1-EN-1-YL)butanoic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(=CC1)CCCC(=O)O

Technology Process of 4-(Cyclohex-1-EN-1-YL)butanoic acid

There total 11 articles about 4-(Cyclohex-1-EN-1-YL)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: 96.0%

ethyl 4-(cyclohex-1-en-1-yl)butanoate (78640-18-3) → 4-cyclohexylidenebutyric acid (2826-55-3)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; ethanol; water;

DOI:10.1016/j.tetlet.2020.151756

Reference yield:

(+/-)-2-Cyan-4-(cyclohex-1-enyl)-buttersaeure-ethylester (2826-53-1) → 4-cyclohexylidenebutyric acid (2826-55-3)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / aq. ethanol

2: Cu / 200 °C

With potassium hydroxide; copper; In ethanol;

Reference yield:

2-(cyclohex-1-en-1-yl)ethyl 4-methylbenzenesulfonate (3399-72-2) → 4-cyclohexylidenebutyric acid (2826-55-3)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) NaH, DMF, (ii) /BRN= 2701277/

2: KOH / aq. ethanol

3: Cu / 200 °C

With potassium hydroxide; copper; In ethanol;

upstream raw materials:

4-cyclohex-1-enyl-4-semicarbazono-butyric acid methyl ester

(2-cyclohex-1-enyl-ethyl)-malonic acid

1-(2-bromoethyl)cyclohex-1-ene

(2-cyclohex-1-enyl-ethyl)-malonic acid diethyl ester

Downstream raw materials:

4-cyclohex-1-enyl-butyric acid amide

tetralin

3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

4-cyclohexenylbutanoyl chloride