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Quassin

Base Information Edit
  • Chemical Name:Quassin
  • CAS No.:76-78-8
  • Molecular Formula:C22H28O6
  • Molecular Weight:388.461
  • Hs Code.:
  • European Community (EC) Number:200-985-9
  • NSC Number:36342
  • DSSTox Substance ID:DTXSID30861626
  • Nikkaji Number:J181.311K
  • Wikipedia:Quassin
  • Wikidata:Q105116871
  • Mol file:76-78-8.mol
Quassin

Synonyms:quassin

Suppliers and Price of Quassin
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
  • TRC
  • Quassin(MixtureofQuassin,IsoquassinandNeoquassin)
  • 2.5mg
  • $ 165.00
  • TRC
  • Quassin(MixtureofQuassin,IsoquassinandNeoquassin)
  • 25mg
  • $ 1320.00
  • Medical Isotopes, Inc.
  • Quassin(MixtureofQuassin,IsoquassinandNeoquassin)
  • 2.5 mg
  • $ 650.00
  • Crysdot
  • Quassin 95+%
  • 5mg
  • $ 730.00
  • Biosynth Carbosynth
  • Quassin - isomeric mixture of isoquassin, neoquassin and quassin
  • 25 mg
  • $ 1500.00
  • Biosynth Carbosynth
  • Quassin - 92%
  • 50 mg
  • $ 500.00
  • Biosynth Carbosynth
  • Quassin - 92%
  • 100 mg
  • $ 800.00
  • Biosynth Carbosynth
  • Quassin - isomeric mixture of isoquassin, neoquassin and quassin
  • 10 mg
  • $ 700.00
  • Biosynth Carbosynth
  • Quassin - isomeric mixture of isoquassin, neoquassin and quassin
  • 5 mg
  • $ 450.00
  • Biosynth Carbosynth
  • Quassin - 92%
  • 25 mg
  • $ 300.00
Total 59 raw suppliers
Chemical Property of Quassin Edit
Chemical Property:
  • Vapor Pressure:9.98E-14mmHg at 25°C 
  • Melting Point:200 - 222oC 
  • Refractive Index:1.552 
  • Boiling Point:586.3 °C at 760 mmHg 
  • Flash Point:255.4 °C 
  • PSA:78.90000 
  • Density:1.23 g/cm3 
  • LogP:2.81900 
  • Storage Temp.:-20°C Freezer, Under inert atmosphere 
  • Solubility.:Chloroform (Slightly), Methanol (Slightly) 
  • XLogP3:2.4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:2
  • Exact Mass:388.18858861
  • Heavy Atom Count:28
  • Complexity:838
Purity/Quality:

99%, *data from raw suppliers

Quassin(MixtureofQuassin,IsoquassinandNeoquassin) *data from reagent suppliers

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

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC
  • Uses Quassin is a naturally occurring extract from quassia trees and is used in traditional chinese medicine for its antiulcerogenic properties. Quassin have also been used as an additive in soft drinks.
Technology Process of Quassin

There total 90 articles about Quassin 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:
With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetone; at 25 ℃; for 0.75h;
DOI:10.1021/jo00081a013
Guidance literature:
With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetone; at 25 ℃; for 0.75h;
DOI:10.1021/jo00081a013
Guidance literature:
Multi-step reaction with 10 steps
1.1: 92 percent / H2 / Pd/C / ethanol / 48 h / 20 °C
2.1: DIBAL-H / tetrahydrofuran; hexane / 0.5 h / -78 °C
3.1: conc. HCl / 1 h / 0 °C
4.1: DMSO; TFAA; Et3N / CH2Cl2 / -78 - 20 °C
5.1: 7 mg / NaH / dimethylformamide / 1 h / -20 °C
6.1: LDA / tetrahydrofuran / 0.5 h / -78 °C
6.2: MoOPH / tetrahydrofuran / -78 - 0 °C
7.1: DMSO; TFAA; Et3N / CH2Cl2 / -78 - 20 °C
8.1: 5.7 mg / NaH / dimethylformamide / 0.67 h / -20 °C
9.1: AcOH / H2O / 0.42 h / Heating
10.1: 3.8 mg / Ag2CO3 on Celite / benzene / 2.5 h / Heating
With hydrogenchloride; hydrogen; sodium hydride; diisobutylaluminium hydride; acetic acid; dimethyl sulfoxide; triethylamine; silver carbonate; trifluoroacetic anhydride; lithium diisopropyl amide; palladium on activated charcoal; In tetrahydrofuran; ethanol; hexane; dichloromethane; water; N,N-dimethyl-formamide; benzene; 1.1: Catalytic hydrogenation / 2.1: Reduction / 3.1: Methylation / 4.1: Swern oxidation / 5.1: Methylation / 6.1: Deprotonation / 6.2: Hydroxylation / 7.1: Swern oxidation / 8.1: Methylation / 9.1: Hydrolysis / 10.1: Oxidation;
DOI:10.1021/jo000877g
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