(5S)-3-(1,1-Dimethylethyl)-2-phenyl-5-oxazolidinemethanol - CAS 194861-99-9
Catalog: |
BB067090 |
Product Name: |
(5S)-3-(1,1-Dimethylethyl)-2-phenyl-5-oxazolidinemethanol |
CAS: |
194861-99-9 |
Synonyms: |
5-Oxazolidinemethanol, 3-(1,1-dimethylethyl)-2-phenyl-, (5S)-; [(5S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methanol; ((5S)-3-(tert-Butyl)-2-phenyloxazolidin-5-yl)methanol; (5S)-3-(1,1-Dimethylethyl)-2-phenyl-5-oxazolidinemethanol; (5S)-2-Phenyl-3-tert-butyloxazolidine-5-methanol |
IUPAC Name: | [(5S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methanol |
Description: | (5S)-3-(1,1-Dimethylethyl)-2-phenyl-5-oxazolidinemethanol is an intermediate in the synthesis of antiglaucoma agent, Timolol (T443700). |
Molecular Weight: | 235.32 |
Molecular Formula: | C14H21NO2 |
Canonical SMILES: | CC(C)(C)N1CC(OC1C2=CC=CC=C2)CO |
InChI: | InChI=1S/C14H21NO2/c1-14(2,3)15-9-12(10-16)17-13(15)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3/t12-,13?/m0/s1 |
InChI Key: | JERBWURCWWHQBK-UEWDXFNNSA-N |
Solubility: | DCM, Ethyl Acetate, Methanol |
Appearance: | Viscous Liquid |
Storage: | -20°C Freezer |
References: | Bredikhin, A.A., et al. Rus. J. Org. Chem., 33, 378 (1997). |
GHS Hazard Statement: | H302+H312 (100%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P332+P317, P333+P313, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.157228913 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.157228913 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.7Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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