(2R,3S)-(+)-3-(BENZYLOXYMETHYL)OXIRANE-2-METHANOL 4-NITROBENZOIC ACID ESTER

pro_cas
78469-86-0
pro_cdbregno
CCD00028705
pro_formula
C18 H17 N O6
pro_molWeight
343.333

basic_info

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

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

secure_wgk_germany: 3

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