Bis[(S)-4-isopropyl-4,5-dihydrooxazol-2-yl]methane - CAS 131833-90-4
Catalog: |
BB007499 |
Product Name: |
Bis[(S)-4-isopropyl-4,5-dihydrooxazol-2-yl]methane |
CAS: |
131833-90-4 |
Synonyms: |
(4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydrooxazol-2-yl]methyl]-4,5-dihydrooxazole; (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole |
IUPAC Name: | (4S)-4-propan-2-yl-2-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole |
Description: | Bis[(S)-4-isopropyl-4,5-dihydrooxazol-2-yl]methane (CAS# 131833-90-4) is a reagent used in the preparation of ditopic bisoxazoline-based chiral ligands for Henry reaction. Also used in the synthesis of chiral α-hydroxy-β-ketoesters as bifunctional photocatalysts. |
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/t10-,11-/m1/s1 |
InChI Key: | KEHOIBBPRFRZFW-GHMZBOCLSA-N |
Boiling Point: | 308.11 °C / 760 mmHg |
Density: | 1.16 g/cm3 |
Storage: | Sealed in dry. Keep cold. |
MDL: | MFCD11558948 |
LogP: | 1.15430 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021076681-A1 | Process for synthesis of picolinamides | 20191018 |
EP-2258709-A1 | 2'-hydroxyl-protected ribonucleoside derivative and manufacturing method of same | 20080229 |
JP-WO2009107692-A1 | Ribonucleoside derivative in which 2'-hydroxyl group is protected and method for producing the same | 20080229 |
US-2011009609-A1 | 2'-hydroxy-protected ribonucleoside derivative and production method thereof | 20080229 |
US-8252919-B2 | 2′-hydroxy-protected ribonucleoside derivative and production method thereof | 20080229 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Oxazole/Thiazole
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