Cyclobutanecarboxylic acid, 3-cyclohexyl-

Base Information

• Chemical Name: Cyclobutanecarboxylic acid, 3-cyclohexyl-
• CAS No.: 3204-78-2
• Molecular Formula: C₁₁H₁₈O₂
• Molecular Weight: 182.263
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID70185858
• Nikkaji Number: J57.858D
• Mol file: 3204-78-2.mol

Synonyms:3-Cyclohexyl-cyclobutanecarboxylic acid;3204-78-2;CYCLOBUTANECARBOXYLIC ACID, 3-CYCLOHEXYL-;3-Cyclohexylcyclobutanecarboxylic acid;DTXSID70185858;LS-55852

Chemical Property of Cyclobutanecarboxylic acid, 3-cyclohexyl-

Chemical Property:

• Vapor Pressure: 0.000237mmHg at 25°C
• Melting Point: 32-35 °C
• Boiling Point: 302°C at 760 mmHg
• PKA: 4.80±0.40(Predicted)
• Flash Point: 142.7°C
• PSA: 37.30000
• Density: 1.115g/cm³
• LogP: 2.67750
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2CC(C2)C(=O)O

Technology Process of Cyclobutanecarboxylic acid, 3-cyclohexyl-

There total 7 articles about Cyclobutanecarboxylic acid, 3-cyclohexyl- 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:

2-cyclohexylpropane-1,3-diol (2612-32-0) → 3-Cyclohexyl-cyclobutan-1-carbonsaeure (3204-78-2)

Guidance literature:

Multi-step reaction with 4 steps

1: Py

2: (i) Na, xylene, (ii) /BRN= 2683029/

3: KOH / ethanol / Heating

4: 220 °C

With pyridine; potassium hydroxide; In ethanol;

Reference yield:

cyclohexyl tosylate (953-91-3) → 3-Cyclohexyl-cyclobutan-1-carbonsaeure (3204-78-2)

Guidance literature:

Multi-step reaction with 6 steps

1: (i) Na, xylene, (ii) /BRN= 2217391/

2: LiAlH₄ / diethyl ether / Heating

3: Py

4: (i) Na, xylene, (ii) /BRN= 2683029/

5: KOH / ethanol / Heating

6: 220 °C

With pyridine; potassium hydroxide; lithium aluminium tetrahydride; In diethyl ether; ethanol;

Reference yield:

3-Cyclohexyl-cyclobutan-1,1-dicarbonsaeure-diethylester (3204-85-1) → 3-Cyclohexyl-cyclobutan-1-carbonsaeure (3204-78-2)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol / Heating

2: 220 °C

With potassium hydroxide; In ethanol;

upstream raw materials:

3-Cyclohexyl-cyclobutan-1,1-dicarbonsaeure

diethyl 2-cyclohexylmalonate

diethyl malonate

2-cyclohexylpropane-1,3-diol

Downstream raw materials:

3-Cyclohexyl-cyclobutan-1-carbonsaeure-chlorid

Refernces