Cas no 1092352-11-8 (tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate)

Technical Introduction: tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate is a versatile N-Boc-protected pyrrolidine derivative featuring a cyanomethyl substituent at the 2-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and bioactive molecules. The tert-butoxycarbonyl (Boc) group offers excellent stability under basic conditions while allowing selective deprotection under acidic conditions, facilitating further functionalization. The cyanomethyl moiety provides a reactive handle for diverse transformations, including nucleophilic additions or reductions. Its well-defined structure and compatibility with standard synthetic protocols make it a practical choice for constructing complex heterocycles or chiral scaffolds. Suitable for use under inert conditions, it is typically handled as a neat liquid or in solution.
tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate structure
1092352-11-8 structure
Product Name:tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate
CAS No:1092352-11-8
MF:C11H18N2O2
MW:210.272822856903
MDL:MFCD12912059
CID:1089479
PubChem ID:17960263
Update Time:2025-06-23

tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate
    • DTXSID801192498
    • SCHEMBL4093254
    • 2-(cyanomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
    • N-Boc-2-cyanomethylpyrrolidine
    • EN300-50914
    • 1092352-11-8
    • GSNDDHMLFYORQI-UHFFFAOYSA-N
    • AS-36628
    • 1,1-Dimethylethyl 2-(cyanomethyl)-1-pyrrolidinecarboxylate
    • DA-17523
    • AKOS015841638
    • CS-0171779
    • A807877
    • tert-Butyl2-(cyanomethyl)pyrrolidine-1-carboxylate
    • PB33661
    • 1-BOC-2-(CYANOMETHYL)PYRROLIDINE
    • MFCD12912059
    • PB28280
    • N-Boc-2-cyanomethyl-pyrrolidine
    • MDL: MFCD12912059
    • Inchi: 1S/C11H18N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-6,8H2,1-3H3
    • InChI Key: GSNDDHMLFYORQI-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCCC1CC#N)=O

Computed Properties

  • Exact Mass: 210.136827821g/mol
  • Monoisotopic Mass: 210.136827821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 285
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 53.3?2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Liquid

tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate Security Information

tert-Butyl 2-(cyanomethyl)pyrrolidine-1-carboxylate Pricemore >>

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Chemenu
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abcr
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TRC
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Chemenu
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Enamine
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