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5-Benzylcyclohexane-1,3-dione

Base Information Edit
  • Chemical Name:5-Benzylcyclohexane-1,3-dione
  • CAS No.:40398-05-8
  • Molecular Formula:C13H14O2
  • Molecular Weight:202.253
  • Hs Code.:
  • ChEMBL ID:CHEMBL1939210
  • DSSTox Substance ID:DTXSID70564982
  • Wikidata:Q82449888
  • Mol file:40398-05-8.mol
5-Benzylcyclohexane-1,3-dione

Synonyms:5-Benzylcyclohexane-1,3-dione;40398-05-8;CHEMBL1939210;SCHEMBL13454194;DTXSID70564982

Suppliers and Price of 5-Benzylcyclohexane-1,3-dione
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
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Total 0 raw suppliers
Chemical Property of 5-Benzylcyclohexane-1,3-dione Edit
Chemical Property:
  • XLogP3:1.8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:2
  • Exact Mass:202.099379685
  • Heavy Atom Count:15
  • Complexity:235
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1C(CC(=O)CC1=O)CC2=CC=CC=C2
Technology Process of 5-Benzylcyclohexane-1,3-dione

There total 9 articles about 5-Benzylcyclohexane-1,3-dione 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:
Guidance literature:
(E)-6-phenyl-3-hexen-2-one; sodium ethanolate; With diethyl malonate; In ethanol; at 25 - 60 ℃; Reflux;
With sodium hydroxide; In ethanol; at 80 ℃; for 2h;
With hydrogenchloride; In ethanol; water; for 1h; pH=2; Reflux;
DOI:10.1021/jm401939g
Guidance literature:
5-phenyl-pent-3-en-2-one; diethyl malonate; With sodium ethanolate; In ethanol; for 12h;
With sodium hydroxide; In ethanol; water; for 12h;
With hydrogenchloride; In diethyl ether; water;
DOI:10.1016/j.bmc.2011.11.039
Guidance literature:
Multi-step reaction with 2 steps
1: diethylamine; absolute alcohol
2: sodium salt of acetoacetic acid ester; alcohol / Verseifen des Reaktionsprodukts mit Sodaloesung
With ethanol; sodium aceto-acetate; diethylamine;
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