threo-N-Boc-L-phenylalanine epoxide - CAS 98737-29-2
Catalog: |
BB042214 |
Product Name: |
threo-N-Boc-L-phenylalanine epoxide |
CAS: |
98737-29-2 |
Synonyms: |
(2S,3S)-3-(Boc-amino)-1,2-epoxy-4-phenylbutane; (2S,3S)-1,2-Epoxy-3-(tert-butoxycarbonylamino)-4-phenylbutane |
IUPAC Name: | tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate |
Description: | Atazanavir intermediate. Enantiomer S. |
Molecular Weight: | 263.33 |
Molecular Formula: | C15H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2 |
InChI: | InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13+/m0/s1 |
InChI Key: | NVPOUMXZERMIJK-QWHCGFSZSA-N |
Boiling Point: | 398.8±25.0 °C at 760 mmHg |
Melting Point: | 125-129 °C |
Purity: | ≥ 98 % by GC |
Density: | 1.1±0.1 g/cm3 |
Solubility: | Methanol : 25g/L |
Appearance: | White or off-white crystalline powder |
Storage: | Store at RT |
LogP: | 2.91210 |
GHS Hazard Statement: | H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113004227-A | Synthesis method of (2S,3S) -3- (tert-butyloxycarbonylamino) -1, 2-epoxy-4-phenylbutane | 20210310 |
JP-2021138012-A | Coating film manufacturing method, partially conductive coating film and its manufacturing method, laminated film and its manufacturing method, conductive resin circuit and its manufacturing method, and circuit film | 20200303 |
WO-2021050992-A1 | Usp30 inhibitors and uses thereof | 20190911 |
JP-2020143202-A | Conductive polymer-containing liquid and its manufacturing method, and conductive film and its manufacturing method | 20190305 |
JP-2020139106-A | Conductive polymer-containing liquid and its manufacturing method, and conductive film and its manufacturing method | 20190301 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.15214353 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 50.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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