658405
(S)-4-(4-Aminobenzyl)-2(1H)-oxazolidinone
97%
Synonym(s):
(4S)-4-[(4-Aminophenyl)methyl]-2-oxazolidinone
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About This Item
Empirical Formula (Hill Notation):
C10H12N2O2
CAS Number:
Molecular Weight:
192.21
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
Quality Level
Assay
97%
form
solid
mp
107-111 °C
SMILES string
Nc1ccc(C[C@H]2COC(=O)N2)cc1
InChI
1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m0/s1
InChI key
WNAVSKJKDPLWBD-VIFPVBQESA-N
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Application
(S)-4-(4-Aminobenzyl)-2(1H)-oxazolidinone can be used as a starting material in the synthesis of:
- Oxazolidinone derived 2-azetidinones as metal cation sensors.
- Serotonin receptor agonist named zolmitriptan.
- Schiff base derived zinc metal complexes of biological importance.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 2
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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(S)-4-(4-aminobenzyl)-2-oxazolidinone based 2-azetidinones for antimicrobial application and luminescent sensing of divalent metal cations
Baruah S, et al.
Journal of Heterocyclic Chemistry, 57, 2498?2511-2498?2511 (2020)
Novel zinc (II) complexes of heterocyclic ligands as antimicrobial agents: synthesis, characterisation, and antimicrobial studies
Yamgar RS, et al.
Bioinorganic Chemistry and Applications, 2014 (2014)
Convenient and Industrially Viable Process for Preparation of Zolmitriptan
Neelakandan K, et al.
Journal of Heterocyclic Chemistry, 51(S1), E332-E334 (2014)
D Manikandan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 239, 118484-118484 (2020-05-30)
The experimental geometry (XRD), vibrational (IR and Raman), electronic (UV-visible) and NMR spectra of (S)-4-(4-Amino-benzyl)-oxazolidin-2-one (ABO) have been corroborated with the corresponding first principle calculated values at DFT using hybrid B3LYP exchange correlation functional invoking 6-311++g(d, p) basis set. The
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