Cas no 960294-18-2 (Tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate)

Tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate structure
960294-18-2 structure
Product Name:Tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate
CAS No:960294-18-2
MF:C14H26N2O2
MW:254.368443965912
MDL:MFCD10700119
CID:832184
PubChem ID:24740465
Update Time:2024-10-25

Tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate
    • : TERT-BUTYL 1,8-DIAZASPIRO[5.5]UNDECANE-1-CARBOXYLATE
    • 1,8-DIAZASPIRO[5.5]UNDECANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • 1,8-Diazaspiro[5.5]undecane-1-carboxylic acid, 1,1-dimethylethyl ester
    • 1-Boc-1,8-diazaspiro[5.5]undecane
    • WT1165
    • 1,8-Diazaspiro[5.5]undecane-1-carboxylic acidtert-butyl ester
    • VPLODDZAJNYXTC-UHFFFAOYSA-N
    • DT2156
    • FCH1627800
    • PB26579
    • 1-N-Boc-1,8-diazaspiro[5.5]undecane
    • OR312322
    • AM804621
    • SY025410
    • 1,1-Dimethylethyl 1,8-diazaspiro[5.5]undecane-1-carboxylate (ACI)
    • Tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate
    • MDL: MFCD10700119
    • Inchi: 1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-5-4-7-14(16)8-6-9-15-11-14/h15H,4-11H2,1-3H3
    • InChI Key: VPLODDZAJNYXTC-UHFFFAOYSA-N
    • SMILES: O=C(N1C2(CCCNC2)CCCC1)OC(C)(C)C

Computed Properties

  • Exact Mass: 254.19900
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 311
  • Topological Polar Surface Area: 41.6

Experimental Properties

  • Density: 1.05
  • Boiling Point: 354 oC
  • Flash Point: 168 oC
  • PSA: 41.57000
  • LogP: 2.79630

Tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate Pricemore >>

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Tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ;  45 min, -78 °C
1.2 -78 °C; -78 °C → rt; overnight, rt
1.3 Reagents: Ammonium chloride Solvents: Water ;  rt
1.4 Reagents: Hydrogen ,  Ammonium hydroxide Catalysts: Nickel Solvents: Methanol ;  6 h, 50 °C
Reference
Practical Synthesis of Structurally Important Spirodiamine Templates
Tang, F.-Y.; Qu, L.-Q.; Xu, Y.; Ma, R.-J.; Chen, Shu-Hui; et al, Synthetic Communications, 2007, 37(21), 3793-3799

Production Method 2

Reaction Conditions
Reference
Azacarbazoles as Btk inhibitors and their preparation, pharmaceutical compositions and use in the treatment of diseases
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrogen ,  Ammonium hydroxide Catalysts: Nickel Solvents: Methanol ,  Water ;  16 h, 35 psi, 45 °C
Reference
Process for preparation of α-azospiro compounds
, China, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Acetic acid ,  Ammonium formate Catalysts: Palladium Solvents: Methanol ;  5 h, reflux
Reference
Design, synthesis, and protein methyltransferase activity of a unique set of constrained amine containing compounds
Zhou, Hao ; Che, Xin; Bao, Guochen; Wang, Na; Peng, Li; et al, Bioorganic & Medicinal Chemistry Letters, 2016, 26(18), 4436-4440

Production Method 5

Reaction Conditions
Reference
Azacarbazoles as Btk inhibitors and their preparation
, World Intellectual Property Organization, , ,

Tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate Raw materials

Tert-butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate Preparation Products

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