2-Carbohexoxycyclopentanone

Base Information

• Chemical Name: 2-Carbohexoxycyclopentanone
• CAS No.: 72845-82-0
• Molecular Formula: C12H20O3
• Molecular Weight: 212.289
• Mol file: 72845-82-0.mol

Synonyms:2-Carbohexoxycyclopentanone

Chemical Property of 2-Carbohexoxycyclopentanone

Chemical Property:

• Vapor Pressure: 0.00126mmHg at 25°C
• Boiling Point: 298.5°Cat760mmHg
• Flash Point: 127.2°C
• PSA: 43.37000
• Density: 1.033g/cm³
• LogP: 2.47910
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 212.14124450
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)C1CCCC1=O
• Isomeric SMILES: CCCCCCOC(=O)[C@@H]1CCCC1=O

Technology Process of 2-Carbohexoxycyclopentanone

There total 2 articles about 2-Carbohexoxycyclopentanone 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:

methyl 2-oxocyclopentane-1-carboxylate (10472-24-9,265317-94-0) + hexan-1-ol (111-27-3) → C12H20O3 + n-hexyl 2-oxocyclopentane-1-carboxylate (72845-82-0)

Guidance literature:

With oxo[hexa(trifluoroacetato)]tetrazinc; In toluene; for 42h; Overall yield = 87 %; Reflux; Inert atmosphere; Schlenk technique;

DOI:10.1002/asia.201600062

Reference yield:

→ n-hexyl 2-oxocyclopentane-1-carboxylate (72845-82-0)

Guidance literature:

/BRN= 3253189/;

Reference yield: 86.0%

benzenesulfonamide (98-10-2) + n-hexyl 2-oxocyclopentane-1-carboxylate (72845-82-0) → n-hexyl 2-(phenylsulfonamido)cyclopent-1-enecarboxylate (1373822-90-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; Inert atmosphere; Reflux;

DOI:10.1016/j.tetlet.2012.03.035

upstream raw materials:

methyl 2-oxocyclopentane-1-carboxylate

hexan-1-ol

Downstream raw materials:

n-hexyl 2-(phenylsulfonamido)cyclopent-1-enecarboxylate

(+)-n-hexyl 2-(phenylsulfonamido)cyclopentanecarboxylate

(+)-n-hexyl 2-(4-methylphenylsulfonamido)cyclopentanecarboxylate

n-hexyl 2-(4-methylphenylsulfonamido)cyclopent-1-enecarboxylate

Refernces