(S)-(+)-4-Benzyl-3-benzyloxyacetyl-2-oxazolidinone - CAS 236110-81-9
Catalog: |
BB073751 |
Product Name: |
(S)-(+)-4-Benzyl-3-benzyloxyacetyl-2-oxazolidinone |
CAS: |
236110-81-9 |
Synonyms: |
(4S)-3-[2-(Phenylmethoxy)acetyl]-4-(phenylmethyl)-2-oxazolidinone |
IUPAC Name: | (4S)-4-benzyl-3-(2-phenylmethoxyacetyl)-1,3-oxazolidin-2-one |
Description: | (S)-(+)-4-Benzyl-3-benzyloxyacetyl-2-oxazolidinone is an oxazolidinone used as a building block in the synthesis of epothilones. |
Molecular Weight: | 325.36 |
Molecular Formula: | C19H19NO4 |
Canonical SMILES: | C1C(N(C(=O)O1)C(=O)COCC2=CC=CC=C2)CC3=CC=CC=C3 |
InChI: | InChI=1S/C19H19NO4/c21-18(14-23-12-16-9-5-2-6-10-16)20-17(13-24-19(20)22)11-15-7-3-1-4-8-15/h1-10,17H,11-14H2/t17-/m0/s1 |
InChI Key: | LIPRFZHBWBIVOM-KRWDZBQOSA-N |
Melting Point: | 60-63°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Waxy White Solid |
Storage: | -20°C |
References: | Scheid, G. et al. Tetrahedron., 15, 2861 (2004). |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.13140809 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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