basic_info |
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| Product_Name: | (2R,3S)-(+)-3-(BENZYLOXYMETHYL)OXIRANE-2-METHANOL 4-NITROBENZOIC ACID ESTER |
| CAS: | 78469-86-0 |
| EnglishSynonyms: | (2R,3S)-(+)-3-(BENZYLOXYMETHYL)OXIRANE-2-METHANOL 4-NITROBENZOIC ACID ESTER ; (2R,3S)-(+)-4-BENZYLOXY-2,3-EPOXY-1-BUTYL 4-NITROBENZOATE |
| pro_mdlNumber: | MFCD00043126 |
| pro_acceptors: | 7 |
| pro_donors: | 0 |
| pro_smile: | c1ccc(cc1)COC[C@H]2[C@H](O2)COC(=O)c3ccc(cc3)[N+](=O)[O-] |
| InChi: | 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 |
| InChiKey: | InChIKey=XBAOYRZETQXAAE-DLBZAZTESA-N |
property |
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| MeltingPoint: | 78-80 DEG C |
| Comments: | ASSAY METHOD: SUM OF ENANTIOMERS, HPLC OPTICAL ACTIVITY: [ALPHA]20/D +34+/-1 DEG, C = 0.5% IN CHLOROFORM OTHER NOTES: CUPROUS IODIDE CATALYZED ADDITION OF GRIGNARD REAGENTS AT C-2 3 OTHER NOTES: NUCLEOPHILIC SUBSTITUTION AT CARBON C-1 2 OTHER NOTES: STABLE PRECURSOR TO (2R,3S)-(+)-3-(BENZYLOXYMETHYL)OXIRANE-2-METHANOL WHICH IS A VERSATILE CHIRAL BUILDING BLOCK 1 UNSPSC: 12352100 WGK: 3 |
secure_info |
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| secure_wgk_germany: | 3 |
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