Cas no 918653-13-1 (tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate)

Tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate is a spirocyclic amine derivative with a tert-butyl carbamate protecting group, widely utilized as a key intermediate in organic synthesis and pharmaceutical research. Its rigid spirocyclic structure enhances stereochemical control, making it valuable for constructing complex molecules. The tert-butyloxycarbonyl (Boc) group offers selective deprotection under mild acidic conditions, facilitating further functionalization. This compound exhibits high stability and solubility in common organic solvents, ensuring efficient handling in multistep syntheses. Its versatility is demonstrated in the development of bioactive compounds, particularly in medicinal chemistry for targeting central nervous system (CNS) disorders. The presence of both tertiary amine and carboxylate functionalities allows for diverse reactivity, enabling applications in ligand design and catalyst development.
tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate structure
918653-13-1 structure
Product Name:tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
CAS No:918653-13-1
MF:C15H28N2O2
MW:268.395024299622
CID:772020
PubChem ID:58808179
Update Time:2025-07-02

tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-methyl-,1,1-dimethylethyl ester
    • 9-methyl-3,9-Diazaspiro[5.5]undecane-3-carboxylic acid 1,1-dimethylethyl ester
    • 9-methyl-3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione
    • tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
    • AMY16626
    • 9-methyl-3,9-diaza-spiro[5.5]undecane-3-carboxylic acid tert-butyl ester
    • SCHEMBL1779347
    • KHIRTTMCPZWQBV-UHFFFAOYSA-N
    • 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-methyl-, 1,1-dimethylethyl ester
    • 918653-13-1
    • Inchi： 1S/C15H28N2O2/c1-14(2,3)19-13(18)17-11-7-15(8-12-17)5-9-16(4)10-6-15/h5-12H2,1-4H3
    • InChI Key： KHIRTTMCPZWQBV-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1CCC2(CC1)CCN(C)CC2)=O

Computed Properties

  • Exact Mass: 268.21500
  • Monoisotopic Mass: 268.215078140g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 318
  • 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: 2.2
  • Topological Polar Surface Area: 32.8?2

Experimental Properties

  • PSA: 32.78000
  • LogP: 2.60510

tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
PBES00064-100.0mg
tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
 918653-13-1 95%
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 ￥2561.0000 2025-04-11
NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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NAN JING YAO SHI KE JI GU FEN Co., Ltd.
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tert-butyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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