Cas no 197569-11-2 (tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate)

Tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate is a versatile intermediate in organic synthesis, particularly valuable for constructing nitrogen-containing heterocycles. The tert-butyloxycarbonyl (Boc) protecting group enhances stability and facilitates selective deprotection under mild acidic conditions, making it suitable for multi-step synthetic routes. The cyanomethylidene moiety offers reactivity for further functionalization, including nucleophilic additions or cyclization reactions. This compound is commonly employed in pharmaceutical and agrochemical research due to its compatibility with diverse reaction conditions. Its crystalline solid form ensures ease of handling and storage. The structural features of this intermediate enable efficient access to piperidine derivatives, which are prevalent in bioactive molecules.
tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate structure
197569-11-2 structure
Product Name:tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate
CAS No:197569-11-2
MF:C12H18N2O2
MW:222.283523082733
MDL:MFCD03695496
CID:1071858
PubChem ID:15326949
Update Time:2025-05-27

tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4-(cyanomethylene)piperidine-1-carboxylate
    • tert-Butyl 4-(cyanomethylidene)piperidine-1-carboxylate
    • AGN-PC-00OW8D
    • MolPort-019-931-558
    • N-BOC-4-(CYANOMETHYLENE)PIPERIDINE
    • QC-665
    • RP12867
    • SureCN99227
    • 4-Cyanomethylenepiperidine-1-carboxylic acid tert-butyl ester
    • SY008019
    • 1-Boc-4-(cyanomethylene)piperidine
    • F6660-3799
    • BXCZVPSAYHBSQZ-UHFFFAOYSA-N
    • EN300-127276
    • SB12946
    • AM10572
    • HF-0215
    • DTXSID30571556
    • 4-Cyanomethylene-piperidine-1-carboxylic acid tert-butyl ester
    • 1-Boc-4-cyanomethylenepiperidine
    • J-524655
    • 197569-11-2
    • AKOS015991469
    • AB8617
    • 1-Piperidinecarboxylic acid, 4-(cyanomethylene)-, 1,1-dimethylethyl ester
    • CS-0037434
    • XHA56911
    • tert-butyl4-(cyanomethylene)piperidine-1-carboxylate
    • 4-cyanomethylenepiperidine-1-carboxylic acid t-butyl ester
    • SCHEMBL99227
    • MFCD03695496
    • A880033
    • DB-321624
    • tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate
    • MDL： MFCD03695496
    • Inchi： 1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h4H,5-6,8-9H2,1-3H3
    • InChI Key： BXCZVPSAYHBSQZ-UHFFFAOYSA-N
    • SMILES： O(C(N1CC/C(=C\C#N)/CC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 222.13694
  • Monoisotopic Mass: 222.136827821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 334
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 53.3?2

Experimental Properties

  • Density: 1.138±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (1 g/l) (25 o C),
  • PSA: 53.33
  • LogP: 2.40518

tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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tert-Butyl 4-(cyanomethylene)piperidine-1-carboxylate
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Chemenu
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Chemenu
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ChemScence
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tert-Butyl 4-(cyanomethylene)piperidine-1-carboxylate
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ChemScence
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TRC
B809678-50mg
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