(4S,5R)-4,5-Diphenyloxazolidin-2-one - CAS 23204-70-8
Catalog: |
BB017979 |
Product Name: |
(4S,5R)-4,5-Diphenyloxazolidin-2-one |
CAS: |
23204-70-8 |
Synonyms: |
(4S,5R)-4,5-diphenyl-2-oxazolidinone; (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one |
IUPAC Name: | (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one |
Description: | (4S,5R)-4,5-Diphenyloxazolidin-2-one (CAS# 23204-70-8) is used as a catalyst in the enantioselective synthesis of chiral phthalides. |
Molecular Weight: | 239.27 |
Molecular Formula: | C15H13NO2 |
Canonical SMILES: | C1=CC=C(C=C1)C2C(OC(=O)N2)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H13NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,16,17)/t13-,14+/m0/s1 |
InChI Key: | LTENIVFVXMCOQI-UONOGXRCSA-N |
Boiling Point: | 466.6 °C at 760 mmHg |
Melting Point: | 227-232 °C |
Purity: | 98 % |
Density: | 1.192 g/cm3 |
Appearance: | Powder or crystalline |
Storage: | Room temperature. |
MDL: | MFCD00799526 |
LogP: | 3.53760 |
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-2021092500-A1 | Inhibitor of apoptosis (iap) protein antagonists | 20191108 |
AU-2010294214-A1 | Heterocylcic derivatives as inhibitors of glutaminyl cyclase | 20090911 |
AU-2010294214-B2 | Heterocylcic derivatives as inhibitors of glutaminyl cyclase | 20090911 |
CA-2772488-A1 | Heterocyclic derivatives as inhibitors of glutaminyl cyclase | 20090911 |
DK-2475428-T3 | Heterocyclic derivatives as glutaminylcyklaseinhibitorer | 20090911 |
PMID | Publication Date | Title | Journal |
16637615 | 20060503 | Catalytic enantioselective synthesis of chiral phthalides by SmI2-mediated reductive cyclization of 2-acylarylcarboxylates | Journal of the American Chemical Society |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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