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Nirtetralin

Base Information Edit
  • Chemical Name:Nirtetralin
  • CAS No.:50656-78-5
  • Deprecated CAS:78185-63-4
  • Molecular Formula:C24H30O7
  • Molecular Weight:430.498
  • Hs Code.:
  • UNII:84YF82N9YT
  • DSSTox Substance ID:DTXSID40964894
  • Nikkaji Number:J238.319E
  • Wikidata:Q82947024
  • Mol file:50656-78-5.mol
Nirtetralin

Synonyms:nirtetralin

Suppliers and Price of Nirtetralin
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
  • Nirtetralin
  • 5mg
  • $ 1595.00
  • Sigma-Aldrich
  • Nirtetralin ≥95% (LC/MS-ELSD)
  • 1mg
  • $ 360.00
Total 1 raw suppliers
Chemical Property of Nirtetralin Edit
Chemical Property:
  • Vapor Pressure:4.43E-10mmHg at 25°C 
  • Boiling Point:511.7°Cat760mmHg 
  • Flash Point:201.1°C 
  • PSA:64.61000 
  • Density:1.158g/cm3 
  • LogP:3.65430 
  • Storage Temp.:?20°C 
  • XLogP3:3.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:8
  • Exact Mass:430.19915329
  • Heavy Atom Count:31
  • Complexity:560
Purity/Quality:

≥98% (HPLC) *data from raw suppliers

Nirtetralin *data from reagent suppliers

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

SDS file from LookChem

Useful:
  • Canonical SMILES:COCC1CC2=CC3=C(C(=C2C(C1COC)C4=CC(=C(C=C4)OC)OC)OC)OCO3
  • Isomeric SMILES:COC[C@H]1CC2=CC3=C(C(=C2[C@H]([C@@H]1COC)C4=CC(=C(C=C4)OC)OC)OC)OCO3
  • Uses Nirtetralin is isolated from the Phyllanthus urinaria L. species and exhibits anti-HBV activity as well as hepatoprotective effects.
Technology Process of Nirtetralin

There total 7 articles about Nirtetralin 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:
Multi-step reaction with 7 steps
2: Pd-C
3: 2.) calcium borohydride
4: 1.) lithium di-isopropylamide
5: trifluoroacetic acid
6: lithium aluminium hydride
7: dimethylsulfoxide
With lithium aluminium tetrahydride; calcium borohydride; trifluoroacetic acid; lithium diisopropyl amide; palladium on activated charcoal; In dimethyl sulfoxide;
DOI:10.1016/0040-4039(81)80108-6
Guidance literature:
Multi-step reaction with 6 steps
1: Pd-C
2: 2.) calcium borohydride
3: 1.) lithium di-isopropylamide
4: trifluoroacetic acid
5: lithium aluminium hydride
6: dimethylsulfoxide
With lithium aluminium tetrahydride; calcium borohydride; trifluoroacetic acid; lithium diisopropyl amide; palladium on activated charcoal; In dimethyl sulfoxide;
DOI:10.1016/0040-4039(81)80108-6
Guidance literature:
Multi-step reaction with 3 steps
1: 320 mg / TFA / CH2Cl2 / 3 h / Ambient temperature
2: LiAlH4 / tetrahydrofuran / 3 h / Ambient temperature
3: 129 mg / NaH / dimethylsulfoxide / 2.5 h / Ambient temperature
With lithium aluminium tetrahydride; sodium hydride; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide;
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