structure of Tert-butyl 3-hydroxy-4-phenylpiperidine-1-carboxylate

Tert-butyl 3-hydroxy-4-phenylpiperidine-1-carboxylate

CAS No.: 1000931-04-3
M. Wt: 277.35900
M. Fa: C16H23NO3
InChI Key: HWNKSGVMOCONJS-UHFFFAOYSA-N
Appearance: Light Yellow To Light Brown Solid

Names and Identifiers of 1000931-04-3

CAS Number

1000931-04-3

MDL Number

MFCD08461249

IUPAC Name

tert-butyl 3-hydroxy-4-phenylpiperidine-1-carboxylate

InChI

InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-9-13(14(18)11-17)12-7-5-4-6-8-12/h4-8,13-14,18H,9-11H2,1-3H3

InChIKey

HWNKSGVMOCONJS-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)O)C2=CC=CC=C2

UNSPSC Code

12352100

Physical and chemical properties of 1000931-04-3

Exact Mass

277.16800

LogP

2.70980

Molecular Formula

C16H23NO3

Molecular Weight

277.35900

PSA

49.77000

Storage condition

2-8°C

Safety Information of 1000931-04-3

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000931-04-3

Tert-butyl 3-hydroxy-4-phenylpiperidine-1-carboxylate has several applications:

  • Organic Synthesis: It serves as an intermediate in the synthesis of more complex organic molecules.
  • Pharmaceutical Research: Its potential therapeutic effects are being investigated for neurological disorders and other medical conditions.
  • Material Science: The compound is utilized in developing new materials and chemical processes due to its unique structural properties.

Interaction Studies of 1000931-04-3

Studies on the interactions of tert-butyl 3-hydroxy-4-phenylpiperidine-1-carboxylate with biological targets suggest that it may influence cellular functions by modulating protein levels or enzyme activities. The hydroxyl group in its structure allows for hydrogen bonding with various biological macromolecules, which could enhance its efficacy in therapeutic applications.

Biological Activity of 1000931-04-3

The biological activity of tert-butyl 3-hydroxy-4-phenylpiperidine-1-carboxylate has been explored in various contexts. It is believed to interact with specific molecular targets, potentially influencing enzyme activity and receptor binding. Its structural features may allow it to modulate biochemical pathways, making it a candidate for further investigation in pharmacological applications.

Physical sample testing spectrum (NMR) of 1000931-04-3

Physical sample testing spectrum (NMR) of 1000931-04-3

Retrosynthesis analysis of 1000931-04-3

  • Route#1

    Cas:100-59-4
    Cas:161157-50-2
    Cas:1000931-04-3
  • Route#2

    Cas:186347-72-8
    Cas:1000931-04-3