Synonym: (2R,3S)-(+)-4-Benzyloxy-2,3-epoxy-1-butyl 4-nitrobenzoate
CAS Number: 78469-86-0
Empirical Formula (Hill Notation): C18H17NO6
Molecular Weight: 343.33
MDL Number: MFCD00043126
Linear Formula: C18H17NO6
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 13730-5G-F.
assay |
≥99.0% (sum of enantiomers, HPLC) |
form |
solid |
InChI |
1S/C18H17NO6/c20-18(14-6-8-15(9-7-14)19(21)22)24-12-17-16(25-17)11-23-10-13-4-2-1-3-5-13/h1-9,16-17H,10-12H2/t16-,17+/m0/s1 |
InChI key |
XBAOYRZETQXAAE-DLBZAZTESA-N |
mp |
78-80 °C |
optical activity |
[α]20/D +34±1°, c = 0.5% in chloroform |
SMILES string |
[O-][N+](=O)c1ccc(cc1)C(=O)OC[C@H]2O[C@H]2COCc3ccccc3 |
Other Notes: |
Stable precursor to (2R,3S)-(+)-3-(benzyloxymethyl)oxirane-2-methanol which is a versatile chiral building block ; Nucleophilic substitution at carbon C-1 ; Cuprous iodide catalyzed addition of Grignard reagents at C-2 |
Packaging: |
5 g in glass bottle |
RIDADR |
NONH for all modes of transport |
WGK Germany |
WGK 3 |
Flash Point(F) |
Not applicable |
Flash Point(C) |
Not applicable |
Purity |
≥99.0% (sum of enantiomers, HPLC) |
mp |
78-80 °C |
UNSPSC |
12352005 |