Bis(4-isopropyl-4,5-dihydrooxazol-2-yl)methane - CAS 152754-11-5
Catalog: |
BB010815 |
Product Name: |
Bis(4-isopropyl-4,5-dihydrooxazol-2-yl)methane |
CAS: |
152754-11-5 |
Synonyms: |
4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydrooxazol-2-yl)methyl]-4,5-dihydrooxazole; 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole |
IUPAC Name: | 4-propan-2-yl-2-[(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole |
Description: | Bis(4-isopropyl-4,5-dihydrooxazol-2-yl)methane (CAS# 152754-11-5) is used as a catalyst. |
Molecular Weight: | 238.33 |
Molecular Formula: | C13H22N2O2 |
Canonical SMILES: | CC(C)C1COC(=N1)CC2=NC(CO2)C(C)C |
InChI: | InChI=1S/C13H22N2O2/c1-8(2)10-6-16-12(14-10)5-13-15-11(7-17-13)9(3)4/h8-11H,5-7H2,1-4H3 |
InChI Key: | KEHOIBBPRFRZFW-UHFFFAOYSA-N |
LogP: | 1.15430 |
Publication Number | Title | Priority Date |
WO-2021076681-A1 | Process for synthesis of picolinamides | 20191018 |
EP-1950208-A1 | Process for producing 6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one | 20051101 |
EP-1950208-B1 | Process for producing 6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one | 20051101 |
ES-2384182-T3 | Process for the production of 6,6-dimethyl-3-oxabicyclo [3,1,0] hexane-2-one | 20051101 |
JP-2007308473-A | Process for producing 6,6-dimethyl-3-oxabicyclo [3.1.0] hexane-2-one | 20051101 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.168127949 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Oxazole/Thiazole
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