(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline - CAS 117408-98-7
Catalog: |
BB003939 |
Product Name: |
(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline |
CAS: |
117408-98-7 |
Synonyms: |
(4S)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole |
IUPAC Name: | (4S)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole |
Description: | (S)-4-tert-Butyl-2-(2-pyridyl)oxazoline (CAS# 117408-98-7) is a useful research chemical. |
Molecular Weight: | 204.27 |
Molecular Formula: | C12H16N2O |
Canonical SMILES: | CC(C)(C)C1COC(=N1)C2=CC=CC=N2 |
InChI: | InChI=1S/C12H16N2O/c1-12(2,3)10-8-15-11(14-10)9-6-4-5-7-13-9/h4-7,10H,8H2,1-3H3/t10-/m1/s1 |
InChI Key: | JDOAIDZRVWJBEG-SNVBAGLBSA-N |
Boiling Point: | 125-135 °C / 760 mmHg |
Melting Point: | 72 °C |
Purity: | ≥ 98 % |
Density: | 1.08±0.1 g/mL |
Appearance: | Powder or crystals |
Storage: | Sealed in dry. Inert atmosphere. Keep cold. |
MDL: | MFCD22200533 |
LogP: | 1.70870 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113372318-A | Preparation method and device of 7-methoxy-4' -methyl formate flavanone | 20210702 |
WO-2021015727-A1 | Fabric coating compositions | 20190722 |
US-10253025-B2 | Method of making tetrahydronaphthyridinyl nonanoic acid compounds | 20170330 |
US-2018282327-A1 | Method of making tetrahydronaphthyridinyl nonanoic acid compounds | 20170330 |
US-2019194195-A1 | Method of making tetrahydronaphthyridinyl nonanoic acid compounds | 20170330 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.126263138 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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