(2R,3S)-N-Cbz-6-oxo-2,3-diphenylmorpholine - CAS 100516-54-9
Catalog: |
BB000244 |
Product Name: |
(2R,3S)-N-Cbz-6-oxo-2,3-diphenylmorpholine |
CAS: |
100516-54-9 |
Synonyms: |
(2R,3S)-6-oxo-2,3-diphenyl-4-morpholinecarboxylic acid (phenylmethyl) ester; benzyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate |
IUPAC Name: | benzyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate |
Description: | (2R,3S)-(−)-N-Z-6-Oxo-2,3-diphenylmorpholine can be used in the optimized large scale synthesis of L-m-tyrosine. Also used in the asymmetric synthesis of Fmoc-L-cyclopentylglycine. |
Molecular Weight: | 387.43 |
Molecular Formula: | C24H21NO4 |
Canonical SMILES: | C1C(=O)OC(C(N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 |
InChI: | InChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m0/s1 |
InChI Key: | HECRUWTZAMPQOS-XZOQPEGZSA-N |
Boiling Point: | 583.5 °C / 760 mmHg |
Melting Point: | 205-207 °C |
Purity: | 98 % |
Density: | 1.242 g/cm3 |
Appearance: | Solid |
Storage: | Keep cold. |
MDL: | MFCD00074958 |
LogP: | 4.60250 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2013042120-A2 | Synthetic ubiquitins and use thereof in drug screening assays | 20110919 |
EP-2699574-A1 | Bicyclic heterocycle compounds and their uses in therapy | 20110421 |
EP-2699574-B1 | Bicyclic heterocycle compounds and their uses in therapy | 20110421 |
JP-2014511898-A | Bicyclic heterocyclic compounds and their use in therapy | 20110421 |
JP-6100237-B2 | Bicyclic heterocyclic compounds and their use in therapy | 20110421 |
Complexity: | 547 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 387.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 387.14705815 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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