Cas no 647857-39-4 (O1-tert-butyl O2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate)

O1-tert-butyl O2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate structure
647857-39-4 structure
Product Name:O1-tert-butyl O2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate
CAS No:647857-39-4
MF:C11H18FNO4
MW:247.263327121735
MDL:MFCD27986950
CID:415904
PubChem ID:58483851
Update Time:2025-04-19

O1-tert-butyl O2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • 1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl)2-methyl ester, (2R,4S)-
    • Methyl (2R,4S)-1-Boc-4-fluoropyrrolidine-2-carboxylate
    • O1-tert-butyl O2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate
    • 1648910-85-3
    • SCHEMBL3554330
    • 647857-39-4
    • 4-(S)-Fluoropyrrolidine-N1,2-(R)-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
    • CS-0052396
    • METPQQHVRNLTRX-JGVFFNPUSA-N
    • A867826
    • 2-Methyl trans-1-boc-4-fluoropyrrolidine-2-carboxylate
    • XAB85739
    • MFCD27986950
    • 1-tert-butyl 2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate
    • 1-O-tert-butyl 2-O-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate
    • AS-33975
    • (2R,4S)-1-tert-Butyl 2-methyl 4-fluoropyrrolidine-1,2-dicarboxylate
    • Methyl (2R,4S)-1boc-4-fluoropyrrolidine-2-carboxylate
    • AMY12289
    • AKOS025290950
    • Methyl (2R,4S)-1boc-4-fluoropyrrolidine-2-carboxylate ee
    • EN300-1165941
    • 1-tert-butyl2-methyl(2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate
    • 1-(tert-Butyl) 2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate
    • MDL: MFCD27986950
    • Inchi: 1S/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
    • InChI Key: METPQQHVRNLTRX-JGVFFNPUSA-N
    • SMILES: F[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1

Computed Properties

  • Exact Mass: 247.12198622g/mol
  • Monoisotopic Mass: 247.12198622g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 313
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 296.5±40.0 °C at 760 mmHg
  • Flash Point: 133.1±27.3 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

O1-tert-butyl O2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate Security Information

O1-tert-butyl O2-methyl (2R,4S)-4-fluoropyrrolidine-1,2-dicarboxylate Pricemore >>

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