gamma-Thujaplicin

Base Information

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

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

Suppliers and Price of gamma-Thujaplicin

Supply Marketing:

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 10 raw suppliers

Chemical Property of gamma-Thujaplicin

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:

97% ^*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%

: C₁₅H₂₀O₄

: 672-76-4
gamma-thujaplicin

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 0 - 25 ℃; for 1h;

Reference yield: 75.0%

: 310905-98-7
(5S)-5-isopropyl-3-cycloheptene-1,2-dione

: 672-76-4
gamma-thujaplicin

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