structure of (R)-Tert-butyl 3-(bromomethyl)piperidine-1-carboxylate

(R)-Tert-butyl 3-(bromomethyl)piperidine-1-carboxylate

CAS No.: 1002359-91-2
M. Wt: 278.18600
M. Fa: C11H20BrNO2
InChI Key: MGGZYACWICDRRD-VIFPVBQESA-N
Appearance: White To Off-White Solid

Names and Identifiers of 1002359-91-2

CAS Number

1002359-91-2

MDL Number

MFCD11111932

IUPAC Name

tert-butyl (3R)-3-(bromomethyl)piperidine-1-carboxylate

InChI

InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3/t9-/m0/s1

InChIKey

MGGZYACWICDRRD-VIFPVBQESA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)CBr

UNSPSC Code

12352100

Physical and chemical properties of 1002359-91-2

Exact Mass

277.06800

LogP

2.96630

Molecular Formula

C11H20BrNO2

Molecular Weight

278.18600

PSA

29.54000

Storage condition

2-8°C

Safety Information of 1002359-91-2

Pictograms

Signal Word

Danger

Safety Data Sheet

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

Applications of 1002359-91-2

(R)-Tert-butyl 3-(bromomethyl)piperidine-1-carboxylate finds applications in various fields:

  • Organic Synthesis: It serves as an important intermediate in the synthesis of more complex organic molecules.
  • Pharmaceutical Development: Its derivatives are explored for potential therapeutic applications, particularly in developing drugs targeting neurotransmitter systems.
  • Material Science: The compound's reactivity allows it to be used in creating diverse chemical libraries for research purposes.

Interaction Studies of 1002359-91-2

Interaction studies involving (R)-tert-butyl 3-(bromomethyl)piperidine-1-carboxylate focus on its reactivity with various nucleophiles and electrophiles. The bromomethyl group facilitates selective reactions, making it an excellent candidate for further functionalization in complex organic syntheses. Researchers have explored its compatibility with different reagents to optimize reaction conditions and improve yields.

Biological Activity of 1002359-91-2

Research indicates that (R)-tert-butyl 3-(bromomethyl)piperidine-1-carboxylate may exhibit biological activity due to its structural features. Notably, it has been utilized as a precursor in the synthesis of selective norepinephrine reuptake inhibitors (SNRIs), which are important in treating conditions like depression and anxiety disorders. The compound's ability to interact with biological targets makes it a valuable candidate in pharmacological studies.

Physical sample testing spectrum (NMR) of 1002359-91-2

Physical sample testing spectrum (NMR) of 1002359-91-2

Retrosynthesis analysis of 1002359-91-2

  • Route#1

    Cas:140695-84-7
    Cas:1002359-91-2
  • Route#2

    Cas:116574-71-1
    Cas:1002359-91-2