3-Des(1-ethylpropoxy)-3-(1-Methylpropoxy) OseltaMivir CAS#: 1052063-37-2; ChemWhat Code: 1042566

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name3-Des(1-ethylpropoxy)-3-(1-Methylpropoxy) OseltaMivir
IUPAC Nameethyl (3R,4R,5S)-4-acetamido-5-amino-3-butan-2-yloxycyclohexene-1-carboxylate
Molecular Structure
CAS Registry Number 1052063-37-2
EINECS NumberNo data available
MDL NumberMFCD29919157
Beilstein Registry NumberNo data available
Synonymsethyl (3R,4R,5S)-4-acetylamino-5-amino-3-(sec-butoxy)cyclohex-1-ene-1-carboxylate
Molecular FormulaC15H26N2O4
Molecular Weight298.378
InChIInChI=1S/C15H26N2O4/c1-5-9(3)21-13-8-11(15(19)20-6-2)7-12(16)14(13)17-10(4)18/h8-9,12-14H,5-7,16H2,1-4H3,(H,17,18)/t9?,12-,13+,14+/m0/s1
InChI KeyDVWBSYTVGZEABZ-IPCIMUCLSA-N
Canonical SMILESCCC(C)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC
Patent Information
No data available

Physical Data

AppearanceWhite Solid
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)
Chemical shifts1H
Chemical shifts13C
3-Des(1-ethylpropoxy)-3-(1-Methylpropoxy) OseltaMivir CAS#: 1052063-37-2 NMR

3-Des(1-ethylpropoxy)-3-(1-Methylpropoxy) OseltaMivir CAS#: 1052063-37-2 MS
3-Des(1-ethylpropoxy)-3-(1-Methylpropoxy) OseltaMivir CAS#: 1052063-37-2 TGA

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 3-Des(1-ethylpropoxy)-3-(1-Methylpropoxy) OseltaMivir CAS 1052063-37-2
Route of Synthesis (ROS) of 3-Des(1-ethylpropoxy)-3-(1-Methylpropoxy) OseltaMivir CAS 1052063-37-2
ConditionsYield
With triethylamine; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃;

Safety and Hazards

GHS Hazard StatementsNot Classified
For more detailed information, please visit ECHA C&L website
Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

Other Data

TransportationUnder the room temperature and away from light
HS CodeNo data available
StorageStore at 2-8°C for long time, sealed and away from light.
Shelf Life3 years
Market PriceUSD 82/mg
Druglikeness
Lipinski rules component
Molecular Weight298.382
logP0.694
HBA6
HBD2
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)90.65
Rotatable Bond (RotB)8
Matching Veber Rules2
Use Pattern
3-Des(1-ethylpropoxy)-3-(1-Methylpropoxy) OseltaMivir CAS#: 1052063-37-2 Used as the Impurity of Oseltamivir.
3-Des(1-ethylpropoxy)-3-(1-Methylpropoxy) OseltaMivir CAS#: 1052063-37-2 in combination with Raw Ulmus Extract
In combination with (3S,4R,5S)-3-acetylamino-4-amino-5-(pent-3-yloxy)-7-oxabicyclo[4.1.0]heptane-1-carboxylic acid
3-Des(1-ethylpropoxy)-3-(1-Methylpropoxy) OseltaMivir CAS#: 1052063-37-2 in combination with (3R,4S,5R)-3,4-diamino-5-(pent-3-yloxy)-7-oxabicyclo[4.1.0]heptane-1-carboxylic acid

Buy Reagent

ChemWhat 1042566 (Click to see TDS)mg, g, 95%
No reagent supplier? Send quick inquiry to ChemWhat
Want to be listed here as a reagent supplier? (Paid service) Click here to contact ChemWhat

Approved Manufacturers

Caming Pharmaceutical Ltdhttp://www.caming.com/
Want to be listed as an approved manufacturer (Requires approvement)? Please download and fill out this form and send back to approved-manufacturers@chemwhat.com

Contact Us for Other Help

Contact us for other information or services Click here to contact ChemWhat