4-(Phenylmethylene)-3,5-heptanedione

Base Information

• Chemical Name: 4-(Phenylmethylene)-3,5-heptanedione
• CAS No.: 57711-74-7
• Molecular Formula: C14H16O2
• Molecular Weight: 216.28
• DSSTox Substance ID: DTXSID101290095
• Nikkaji Number: J1.662.092K

Synonyms:SCHEMBL8038875;DTXSID101290095;4-(Phenylmethylene)-3,5-heptanedione;57711-74-7

Chemical Property of 4-(Phenylmethylene)-3,5-heptanedione

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 216.115029749
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)C(=CC1=CC=CC=C1)C(=O)CC

Technology Process of 4-(Phenylmethylene)-3,5-heptanedione

There total 6 articles about 4-(Phenylmethylene)-3,5-heptanedione 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: 95.0%

benzaldehyde (100-52-7) + 3,5-heptanedione (7424-54-6) → 4-benzylidene-heptane-3,5-dione (57711-74-7)

Guidance literature:

With piperidine; acetic acid; In benzene; for 5h; Heating;

DOI:10.1016/S0040-4020(01)01173-5

Reference yield:

(E)-5-Hydroxy-4-(morpholin-4-yl-phenyl-methyl)-hept-4-en-3-one → morpholine (110-91-8,99108-56-2) + 4-benzylidene-heptane-3,5-dione (57711-74-7)

Guidance literature:

With potassium chloride; In water; dimethyl sulfoxide; at 20 ℃; Rate constant; Equilibrium constant;

Reference yield:

(E)-5-Hydroxy-4-(phenyl-piperidin-1-yl-methyl)-hept-4-en-3-one → piperidine (110-89-4) + 4-benzylidene-heptane-3,5-dione (57711-74-7)

Guidance literature:

With potassium chloride; In water; dimethyl sulfoxide; at 20 ℃; Rate constant; Equilibrium constant;

upstream raw materials:

benzaldehyde

propionic acid

benzylidene phenylamine

3,5-heptanedione

Downstream raw materials:

1-(2-ethyl-4-phenyl-4,5-dihydrofuran-3-yl)propan-1-one

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