Cas no 706806-68-0 (1,2-Pyrrolidinedicarboxylicacid, 2-[(3-chlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2R)-)

1,2-Pyrrolidinedicarboxylicacid, 2-[(3-chlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2R)- structure
706806-68-0 structure
Product Name:1,2-Pyrrolidinedicarboxylicacid, 2-[(3-chlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2R)-
CAS No:706806-68-0
MF:C17H22ClNO4
MW:339.81388425827
MDL:MFCD06797547
CID:557686
PubChem ID:2761838
Update Time:2025-09-27

1,2-Pyrrolidinedicarboxylicacid, 2-[(3-chlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2R)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Pyrrolidinedicarboxylicacid, 2-[(3-chlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2R)-
    • BOC-(R)-ALPHA-(3-CHLOROBENZYL)-PROLINE
    • 1,2-Pyrrolidinedicarboxylicacid, 2-[(3-chlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2R...
    • 706806-68-0
    • (2R)-2-[(3-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
    • PS-12536
    • AKOS015949743
    • BOC-(R)-ALPHA-(3-CHLORO-BENZYL)-PROLINE
    • Boc-(R)-alpha-(3-chlorobenzyl)proline
    • MFCD06797547
    • (R)-1-(tert-butoxycarbonyl)-2-(3-chlorobenzyl)pyrrolidine-2-carboxylic acid
    • MDL： MFCD06797547
    • Inchi： 1S/C17H22ClNO4/c1-16(2,3)23-15(22)19-9-5-8-17(19,14(20)21)11-12-6-4-7-13(18)10-12/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,20,21)/t17-/m1/s1
    • InChI Key： KLTFJXPAPHYWKB-QGZVFWFLSA-N
    • SMILES： ClC1=CC=CC(=C1)C[C@@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 339.1237359g/mol
  • Monoisotopic Mass: 339.1237359g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 462
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • Density: 1.268
  • Boiling Point: 467.7°C at 760 mmHg
  • Flash Point: 236.7°C
  • Refractive Index: 1.562

1,2-Pyrrolidinedicarboxylicacid, 2-[(3-chlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2R)- Pricemore >>

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