(S)-3-(3-Cbz-5-oxo-4-oxazolidinyl)propionic Acid - CAS 23632-67-9
Catalog: |
BB018125 |
Product Name: |
(S)-3-(3-Cbz-5-oxo-4-oxazolidinyl)propionic Acid |
CAS: |
23632-67-9 |
Synonyms: |
3-[(4S)-5-oxo-3-phenylmethoxycarbonyl-4-oxazolidinyl]propanoic acid; 3-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]propanoic acid |
IUPAC Name: | 3-[(4S)-5-oxo-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]propanoic acid |
Description: | (S)-3-(3-Cbz-5-oxo-4-oxazolidinyl)propionic Acid (CAS# 23632-67-9) is a compound useful in organic synthesis. |
Molecular Weight: | 293.27 |
Molecular Formula: | C14H15NO6 |
Canonical SMILES: | C1N(C(C(=O)O1)CCC(=O)O)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C14H15NO6/c16-12(17)7-6-11-13(18)21-9-15(11)14(19)20-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)/t11-/m0/s1 |
InChI Key: | AYOCGDFDOZVEKT-NSHDSACASA-N |
Boiling Point: | 557.2 °C / 760 mmHg |
Flash Point: | 113 °C(235.4 °F) |
Purity: | 97 % |
Density: | 1.05 g/mL at 25 °C (lit.) |
Storage: | Inert atmosphere. -20 °C. |
MDL: | MFCD00799475 |
LogP: | 1.31080 |
Refractive Index: | 1.535 |
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 |
AU-2018321548-A1 | Processes for preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate | 20170821 |
US-2019084924-A1 | Processes for the preparation of (s)-tert-butyl 4,5-diamino-5-oxopentanoate | 20170821 |
WO-2019040109-A1 | PROCESSES FOR THE PREPARATION OF (S) -TERT-BUTYL 4,5-DIAMINO-5-OXOPENTANOATE | 20170821 |
US-10717703-B2 | Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate | 20170821 |
US-2020299228-A1 | Processes for the preparation of (s)-tert-butyl 4,5-diamino-5-oxopentanoate | 20170821 |
Complexity: | 404 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.08993720 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.08993720 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 93.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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