(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone - CAS 77943-39-6
Catalog: |
BB036086 |
Product Name: |
(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone |
CAS: |
77943-39-6 |
Synonyms: |
(4R,5S)-4-methyl-5-phenyl-2-oxazolidinone; (4R,5S)-4-methyl-5-phenyl-1,3-oxazolidin-2-one |
Application: |
(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone is a chiral auxiliary in condensation reactions with acyl halides and carboxylic acids. |
IUPAC Name: | (4R,5S)-4-methyl-5-phenyl-1,3-oxazolidin-2-one |
Description: | (4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone (CAS# 77943-39-6) is a chiral auxiliary in condensation reactions with acyl halides and carboxylic acids. |
Molecular Weight: | 177.20 |
Molecular Formula: | C10H11NO2 |
Canonical SMILES: | CC1C(OC(=O)N1)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m1/s1 |
InChI Key: | PPIBJOQGAJBQDF-VXNVDRBHSA-N |
Boiling Point: | ~395.8 °C / 760 mmHg |
Melting Point: | 121-123 °C |
Purity: | 99 % |
Density: | ~1.1 g/mL (Predicted) |
Solubility: | Soluble in water (partly), and chloroform. |
Appearance: | Powder or crystalline |
Storage: | Keep cold. |
MDL: | MFCD00010845 |
LogP: | 2.18480 |
Refractive Index: | 1.53 |
Precautionary Statement: | P262 |
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Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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