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gamma-Thujaplicin

Base Information Edit
  • Chemical Name:gamma-Thujaplicin
  • CAS No.:672-76-4
  • Molecular Formula:C10H12O2
  • Molecular Weight:164.204
  • Hs Code.:2914400090
  • NSC Number:402794,43338,18805
  • UNII:CA2K6LJ2BV
  • DSSTox Substance ID:DTXSID2060969
  • Nikkaji Number:J13.747B
  • Wikidata:Q27108661
  • Metabolomics Workbench ID:67625
  • ChEMBL ID:CHEMBL1275999
  • Mol file:672-76-4.mol
gamma-Thujaplicin

Synonyms:2-hydroxy-5-isopropyl- 2,4,6-cycloheptatrienone;gamma-thujaplicin

Suppliers and Price of gamma-Thujaplicin
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
  • Packaging
  • price
  • American Custom Chemicals Corporation
  • GAMMA-THUJAPLICIN 95.00%
  • 10G
  • $ 1334.03
Total 9 raw suppliers
Chemical Property of gamma-Thujaplicin Edit
Chemical Property:
  • Vapor Pressure:8.98E-05mmHg at 25°C 
  • Melting Point:82°C 
  • Refractive Index:1.5190 (estimate) 
  • Boiling Point:303.4°Cat760mmHg 
  • PKA:7.75±0.10(Predicted) 
  • Flash Point:128.1°C 
  • PSA:37.30000 
  • Density:1.127g/cm3 
  • LogP:1.87580 
  • XLogP3:1.9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:1
  • Exact Mass:164.083729621
  • Heavy Atom Count:12
  • Complexity:280
Purity/Quality:

99%, *data from raw suppliers

GAMMA-THUJAPLICIN 95.00% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)C1=CC=C(C(=O)C=C1)O
Technology Process of gamma-Thujaplicin

There total 24 articles about gamma-Thujaplicin 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: 80.5%

Guidance literature:
With trifluoroacetic acid; In dichloromethane; at 0 - 25 ℃; for 1h;
Guidance literature:
(5S)-5-isopropyl-3-cycloheptene-1,2-dione; With pyrrolidone hydrotribromide; In tetrahydrofuran; at 20 ℃; for 1h;
With lithium carbonate; lithium bromide; In N,N-dimethyl-formamide; for 2h; Heating;
DOI:10.1016/S0040-4020(00)00690-6

Reference yield: 61.2%

Guidance literature:
With acetic acid; sodium hydroxide; In toluene; for 6h; Reagent/catalyst; Solvent; Reflux;
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