Cas no 902837-26-7 (tert-Butyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate)

tert-Butyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate structure
902837-26-7 structure
Product Name:tert-Butyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
CAS No:902837-26-7
MF:C14H26N2O2
MW:254.368443965912
CID:803203
PubChem ID:42553448
Update Time:2024-10-26

tert-Butyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4-(pyrrolidin-1-yl)piperidine-1-carboxylate
    • 1-Piperidinecarboxylic acid, 4-(1-pyrrolidinyl)-, 1,1- dimethylethyl ester
    • 4-PYRROLIDIN-1-YL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • tert-butyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
    • tert-butyl 4-pyrrolidinylpiperidinecarboxylate
    • 1,1-Dimethylethyl 4-(1-pyrrolidinyl)-1-piperidinecarboxylate (ACI)
    • 1-Boc-4-(1-pyrrolidinyl)piperidine
    • 1-Piperidinecarboxylicacid,4-(1-pyrrolidinyl)-,1,1-dimethylethyl ester
    • TS-03437
    • DTXSID10654811
    • CS-0002013
    • CLB83726
    • AKOS009461505
    • 1-Piperidinecarboxylic acid, 4-(1-pyrrolidinyl)-, 1,1-dimethylethyl ester
    • SCHEMBL17128329
    • SDCCGSBI-0663205.P001
    • tert-butyl4-(pyrrolidin-1-yl)piperidine-1-carboxylate
    • 902837-26-7
    • 1-Piperidinecarboxylicacid, 4-(1-pyrrolidinyl)-, 1,1-dimethylethyl ester
    • tert-Butyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
    • MDL: MFCD08056347
    • Inchi: 1S/C14H26N2O2/c1-14(2,3)18-13(17)16-10-6-12(7-11-16)15-8-4-5-9-15/h12H,4-11H2,1-3H3
    • InChI Key: KJJXFFZNVKNQAC-UHFFFAOYSA-N
    • SMILES: O=C(N1CCC(N2CCCC2)CC1)OC(C)(C)C

Computed Properties

  • Exact Mass: 254.19900
  • Monoisotopic Mass: 254.199
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 285
  • 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
  • Topological Polar Surface Area: 32.8A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.068
  • Boiling Point: 333.027°C at 760 mmHg
  • Flash Point: 155.209°C
  • Refractive Index: 1.512
  • PSA: 32.78000
  • LogP: 2.35750

tert-Butyl 4-pyrrolidin-1-ylpiperidine-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%

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tert-Butyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Dichloromethane ,  Water ;  rt → 0 °C
1.2 0 °C; 0 °C → rt; 2 d, rt
1.3 Solvents: 1,4-Dioxane ;  6 h, 60 °C
1.4 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ;  overnight, rt
Reference
Design and synthesis of a hybrid series of potent and selective agonists of α7 nicotinic acetylcholine receptor
Nencini, Arianna; Castaldo, Cristiana; Comery, Thomas A.; Dunlop, John; Genesio, Eva; et al, European Journal of Medicinal Chemistry, 2014, 78, 401-418

tert-Butyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate Raw materials

tert-Butyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate Preparation Products

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