(1-Oxoheptyl)ferrocene

Base Information

• Chemical Name: (1-Oxoheptyl)ferrocene
• CAS No.: 68209-43-8
• Molecular Formula: C17H22FeO
• Molecular Weight: 298.208
• European Community (EC) Number: 269-250-8
• Mol file: 68209-43-8.mol

Synonyms:(1-Oxoheptyl)ferrocene;EINECS 269-250-8;68209-43-8

Chemical Property of (1-Oxoheptyl)ferrocene

Chemical Property:

• PSA: 17.07000
• LogP: 2.77410
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 298.102001
• Heavy Atom Count: 19
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)C1=C[CH-]C=C1.[CH-]1C=CC=C1.[Fe+2]

Technology Process of (1-Oxoheptyl)ferrocene

There total 2 articles about (1-Oxoheptyl)ferrocene 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: 63.0%

ferrocene (102-54-5,55404-68-7) + n-heptanoic anhydride (626-27-7) → 1-heptanoylferrocene (68209-43-8)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; ferrocene and 2 equivs. of acid anhydride suspended in CH2Cl2 and cooledto 0°C, boron trifluoride etherate added over 10 min, stirred at room temp. for 3 h; poured into ice H2O, sepd., the org. layer washed (satd. NaHCO3 soln.), dried (MgSO4), solvent-removed, flash-chromd. (SiO2, cyclohexane/EtOAc);obtained as oil;

DOI:10.1016/S0022-328X(01)00862-2

Reference yield: 52.0%

ferrocene (102-54-5,55404-68-7) + Heptanoic acid chloride (2528-61-2) → 1-heptanoylferrocene (68209-43-8)

Guidance literature:

With aluminum oxide; In dichloromethane; stirring (3.5 h); extraction (water, Et2O), chromy.;

DOI:10.1007/bf01435401

upstream raw materials:

ferrocene

n-heptanoic anhydride

Heptanoic acid chloride