methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride CAS#: 851785-21-2; ChemWhat Code: 1247767
Identification
Patent Information | ||
Patent ID | Title | Publication Date |
WO2019/73325 | NOVEL PROCESS FOR THE PREPARATION OF LIFITEGRAST | 2019 |
Physical Data
Appearance | White powder |
Solubility | No data available |
Flash Point | No data available |
Refractive index | No data available |
Sensitivity | No data available |
Spectra
Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz | Original Text (NMR Spectroscopy) |
1H | d(4)-methanol | 400 | 1H NMR (400 MHz, CD30D) : 8 7.95 (m, 1H), 7.87 (s, 1H), 7.64 (m, 2H), 4.44 (t, J= 6. 85 Hz, 1H), 3.82 (s, 3H), 3.41 (m, 1H), 3.29 (m, 1H), 3.13 (s, 3H) ppm |
Description (Mass Spectrometry) | Comment (Mass Spectrometry) |
ESI (Electrospray ionisation) | Molecular peak |
Route of Synthesis (ROS)
Conditions | Yield |
With hydrogen; palladium on activated charcoal In methanol Experimental Procedure The compound 8.9 was hydrogenated (Pd/C, MeOH,) with a hydrogen balloon to afford compound 8.4 (yield 98%). ESI-MS (m/z) : (M+H+) 258. | 98% |
Safety and Hazards
GHS Hazard Statements | Not Classified |
Other Data
Transportation | Not dangerous goods |
Under the room temperature and away from light | |
HS Code | 294200 |
Storage | Under the room temperature and away from light |
Shelf Life | 2 years |
Market Price | USD |
Druglikeness | |
Lipinski rules component | |
Molecular Weight | 293.771 |
logP | 1.141 |
HBA | 5 |
HBD | 1 |
Matching Lipinski Rules | 4 |
Veber rules component | |
Polar Surface Area (PSA) | 94.84 |
Rotatable Bond (RotB) | 5 |
Matching Veber Rules | 2 |
Use Pattern |
methyl (S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride CAS#: 851785-21-2 Used as the Intermediate of lifitegrast. |
Buy Reagent | |
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 Ltd | http://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 |