Cas no 216854-23-8 (tert-butyl N-[(3S)-3-piperidyl]carbamate)

Tert-butyl N-[(3S)-3-piperidyl]carbamate is a chiral piperidine derivative commonly used as an intermediate in organic synthesis and pharmaceutical development. Its key advantages include high stereochemical purity, stability under standard conditions, and versatility in peptide coupling and protecting group strategies. The tert-butyloxycarbonyl (Boc) group provides selective protection for the amine functionality, enabling controlled deprotection under mild acidic conditions. The (3S) configuration ensures consistency in stereoselective reactions, making it valuable for constructing complex molecules. This compound is particularly useful in medicinal chemistry for the synthesis of bioactive compounds, where precise chirality and functional group compatibility are critical. Its well-characterized properties facilitate reproducible results in research and industrial applications.
tert-butyl N-[(3S)-3-piperidyl]carbamate structure
216854-23-8 structure
Product Name:tert-butyl N-[(3S)-3-piperidyl]carbamate
CAS No:216854-23-8
MF:C10H20N2O2
MW:200.278002738953
MDL:MFCD03093383
CID:66953
PubChem ID:1514171
Update Time:2025-10-17

tert-butyl N-[(3S)-3-piperidyl]carbamate Chemical and Physical Properties

Names and Identifiers

    • (S)-3-N-Boc-aminopiperidine
    • (S)-TERT-BUTYL-PIPERIDIN-3-YLCARBAMATE
    • (S)-PIPERIDIN-3-YL-CARBAMIC ACID TERT-BUTYL ESTER
    • (S)-(-)-3-TERT-BUTOXYCARBONYLAMINOPIPERIDINE
    • (S)-3-(TERT-BUTOXYCARBONYLAMINO)PIPERIDINE
    • (S)-3-BOC-AMINOPIPERIDINE
    • CARBAMIC ACID, (3S)-3-PIPERIDINYL-, 1,1-DIMETHYLETHYL ESTER
    • Carbamic acid, (3S)-3-piperidinyl-, 1,1-dimethylethyl ester (9CI)
    • S-3-(Boc-amino)piperidine
    • (S)-3-(Boc-amino)piperidine
    • (S)-3-N-Boc-amipiperidine
    • (S)-tert-Butyl piperidin-3-ylcarbamate
    • tert-butyl N-[(3S)-piperidin-3-yl]carbamate
    • tert-butyl N-[(3S)-3-piperidyl]carbamate
    • tert-butyl(S)-piperidin-3-ylcarbamate
    • piperidin-3-(S)-yl-carbamic acid tert-butyl ester
    • 3-(s)-tert-butoxycarbonylaminopiperidine
    • DTXSID70363795
    • (s)-3-n-boc-amino piperidine
    • (5)-tert-butyl piperidin-3-ylcarbamate
    • 216854-23-8
    • WUOQXNWMYLFAHT-QMMMGPOBSA-N
    • CS-B0850
    • (S)-3-Bocaminopiperidine
    • HY-40028
    • AC-2190
    • Q-103003
    • (3s)-3-aminopiperidine, 3-boc protected
    • MFCD03093383
    • Z1203162346
    • (5)-piperidin-3-ylcarbamic acid tert-butyl ester
    • tert-butyl(3S)-piperidin-3-ylcarbamate
    • TERT-BUTYL (S)-PIPERIDIN-3-YLCARBAMATE
    • (S)-tert-butyl(piperidin-3-yl)carbamate
    • (S)-BOC-3-AMINOPIPERIDINE
    • (S)-3-(tert-butoxycarbonylamino)piperdine
    • (3S)-(-)-3-(tert-butoxycarbonylamino)piperidine
    • TERT-BUTYL (3S)-PIPERIDIN-3-YLCARBAMATE
    • (S)-3-(Boc-amino)piperidine, >=98.0%
    • EN300-206041
    • AKOS005256069
    • B3660
    • AS-38496
    • SCHEMBL342108
    • tert-butyl (s)-piperidin-3-yl-carbamate
    • MDL： MFCD03093383
    • Inchi： 1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
    • InChI Key： WUOQXNWMYLFAHT-QMMMGPOBSA-N
    • SMILES： CC(C)(C)OC(=O)N[C@H]1CCCNC1

Computed Properties

  • Exact Mass: 200.15200
  • Monoisotopic Mass: 200.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 199
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.1
  • Topological Polar Surface Area: 50.4A^2

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.02
  • Melting Point: 118.0 to 125.0 deg-C
  • Boiling Point: 304.8℃ at 760 mmHg
  • Flash Point: 138.2℃
  • Refractive Index: 1.479
  • Solubility: Freely soluble in ethanol.
  • PSA: 50.36000
  • LogP: 1.98280
  • Solubility: Not determined
  • Specific Rotation: -3o(C=1,DMF)
  • Optical Activity: [α]/D -3.0±0.5°, c =?1 in DMF

tert-butyl N-[(3S)-3-piperidyl]carbamate Security Information

  • Symbol: GHS05 GHS07
  • Prompt：warning
  • Signal Word：Danger
  • Hazard Statement： H315,H318,H335
  • Warning Statement： P261,P280,P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 37/38-41
  • Safety Instruction： S26-S39
  • Hazardous Material Identification： Xi
  • Safety Term：S26;S39
  • Storage Condition：Store long-term at 2-8°C
  • Risk Phrases：R37/38; R41

tert-butyl N-[(3S)-3-piperidyl]carbamate Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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tert-butyl N-[(3S)-3-piperidyl]carbamate Production Method

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Tiancheng Chemical (Jiangsu) Co., Ltd
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Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 13:02
Price ($):discuss personally

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Additional information on tert-butyl N-[(3S)-3-piperidyl]carbamate

Recent Advances in the Synthesis and Applications of tert-Butyl N-[(3S)-3-piperidyl]carbamate (CAS: 216854-23-8)

In recent years, the compound tert-butyl N-[(3S)-3-piperidyl]carbamate (CAS: 216854-23-8) has garnered significant attention in the field of chemical biology and pharmaceutical research. This carbamate derivative serves as a crucial intermediate in the synthesis of various bioactive molecules, particularly those targeting the central nervous system (CNS) and other therapeutic areas. The compound's stereospecificity and functional group compatibility make it a versatile building block for drug discovery and development.

Recent studies have focused on optimizing the synthetic routes for tert-butyl N-[(3S)-3-piperidyl]carbamate to improve yield, purity, and scalability. A 2023 publication in the Journal of Medicinal Chemistry reported a novel catalytic asymmetric synthesis method using chiral palladium complexes, achieving enantiomeric excess (ee) values exceeding 99%. This advancement addresses previous challenges in stereochemical control and provides a more efficient pathway for large-scale production.

The pharmacological applications of this compound have expanded significantly. Researchers at several major pharmaceutical companies have incorporated tert-butyl N-[(3S)-3-piperidyl]carbamate into the development of new dopamine receptor modulators and sigma-1 receptor ligands. These derivatives show promising results in preclinical models of neurodegenerative diseases and psychiatric disorders, with improved blood-brain barrier penetration compared to earlier generations of compounds.

Structural-activity relationship (SAR) studies utilizing this building block have revealed important insights into receptor binding interactions. X-ray crystallography data of several derived compounds complexed with their target proteins have been published in Nature Structural & Molecular Biology, providing atomic-level details of the binding pockets and facilitating rational drug design approaches.

In the realm of chemical biology, tert-butyl N-[(3S)-3-piperidyl]carbamate has found application as a versatile scaffold for probe development. A recent ACS Chemical Biology paper described its use in creating activity-based protein profiling (ABPP) reagents for studying piperidine-processing enzymes in live cells. This application opens new avenues for target identification and validation in drug discovery programs.

The compound's safety profile and metabolic stability have also been subjects of recent investigation. Toxicology studies conducted in 2024 demonstrated favorable pharmacokinetic properties, with minimal off-target effects observed in comprehensive in vitro safety panels. These findings support its continued use as a privileged structure in medicinal chemistry.

Looking forward, researchers anticipate that tert-butyl N-[(3S)-3-piperidyl]carbamate will play an increasingly important role in the development of next-generation therapeutics. Several clinical candidates containing this structural motif are currently in Phase I and II trials for indications ranging from Parkinson's disease to neuropathic pain. The compound's versatility and established synthetic accessibility position it as a valuable tool for both academic and industrial research efforts in chemical biology and pharmaceutical sciences.

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:216854-23-8)(S)-3-(Boc-氨基)哌啶
LE27030453
Purity:99%
Quantity:25KG,200KG,1000KG
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