Cas no 1228631-69-3 (Tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate)

Tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate is a fluorinated spirocyclic compound featuring a diazaspiro[3.5]nonane core structure. The presence of two fluorine atoms at the 5-position enhances its metabolic stability and lipophilicity, making it a valuable intermediate in medicinal chemistry. The tert-butyloxycarbonyl (Boc) protecting group ensures selective reactivity, facilitating further derivatization under mild conditions. This compound is particularly useful in the synthesis of bioactive molecules, including protease inhibitors and CNS-targeting agents, due to its rigid spirocyclic framework and fluorine-induced electronic effects. Its high purity and well-defined stereochemistry make it suitable for precision applications in drug discovery and development.
Tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate structure
1228631-69-3 structure
Product Name:Tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
CAS No:1228631-69-3
MF:C12H20F2N2O2
MW:262.296210289001
MDL:MFCD14581448
CID:4563993
PubChem ID:49761221
Update Time:2025-07-02

Tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
    • 2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 5,5-difluoro-, 1,1-dimethylethyl ester
    • SB22200
    • 5,5-DIFLUORO-2,7-DIAZA-SPIRO[3.5]NONANE-7-CARBOXYLIC ACID TERT-BUTYL ESTER
    • AS-52997
    • tert-butyl5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
    • 1228631-69-3
    • AKOS027325644
    • P15958
    • SY099702
    • 7-Boc-5,5-difluoro-2,7-diazaspiro[3.5]nonane
    • SCHEMBL23763417
    • CS-0048194
    • MFCD14581448
    • Tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
    • MDL： MFCD14581448
    • Inchi： 1S/C12H20F2N2O2/c1-10(2,3)18-9(17)16-5-4-11(6-15-7-11)12(13,14)8-16/h15H,4-8H2,1-3H3
    • InChI Key： DPKMOHMENJEEJV-UHFFFAOYSA-N
    • SMILES： FC1(CN(C(=O)OC(C)(C)C)CCC21CNC2)F

Computed Properties

  • Exact Mass: 262.14928421 g/mol
  • Monoisotopic Mass: 262.14928421 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 349
  • 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: 1.4
  • Topological Polar Surface Area: 41.6
  • Molecular Weight: 262.30

Experimental Properties

  • Density: 1.20±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (24 g/l) (25 o C),

Tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B789473-2.5mg
tert-Butyl 5,5-Difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
 1228631-69-3
2.5mg
 $ 50.00 2022-06-01
TRC
B789473-5mg
tert-Butyl 5,5-Difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
 1228631-69-3
5mg
 $ 70.00 2022-06-01
TRC
B789473-25mg
tert-Butyl 5,5-Difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
 1228631-69-3
25mg
 $ 275.00 2022-06-01
abcr
AB485873-100 mg
tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate, 95%; .
 1228631-69-3 95%
100mg
 €668.60 2023-06-13
abcr
AB485873-250 mg
tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate, 95%; .
 1228631-69-3 95%
250mg
 €1032.40 2023-06-13
Chemenu
CM206196-1g
tert-Butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
 1228631-69-3 95%
1g
 $1574 2022-06-13
Chemenu
CM206196-100mg
tert-Butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
 1228631-69-3 95%
100mg
 $623 2023-03-07
Chemenu
CM206196-250mg
tert-Butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
 1228631-69-3 95%
250mg
 $985 2023-03-07
eNovation Chemicals LLC
D586799-100mg
tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
 1228631-69-3 97%
100mg
 $405 2024-07-21
eNovation Chemicals LLC
D586799-250MG
tert-butyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
 1228631-69-3 97%
250mg
 $645 2024-07-21

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