structure of 2-(Boc-amino)-6-hydroxyspiro[3.3]heptane

2-(Boc-amino)-6-hydroxyspiro[3.3]heptane

CAS No.: 1000933-99-2
M. Wt: 227.30000
M. Fa: C12H21NO3
InChI Key: XBBQALZXPLXYDL-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000933-99-2

CAS Number

1000933-99-2

EC Number

846-711-7

MDL Number

MFCD09702342

IUPAC Name

tert-butyl N-(2-hydroxyspiro[3.3]heptan-6-yl)carbamate

InChI

InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12/h8-9,14H,4-7H2,1-3H3,(H,13,15)

InChIKey

XBBQALZXPLXYDL-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)O

UNSPSC Code

12352100

Physical and chemical properties of 1000933-99-2

Acidity coefficient

12.34±0.40(Predicted)

Boiling Point

361.7±41.0℃ at 760 mmHg

Density

1.13±0.1 g/cm3(Predicted)

Exact Mass

227.15200

LogP

2.20550

Melting Point

118-120?C

Molecular Formula

C12H21NO3

Molecular Weight

227.30000

PSA

58.56000

Solubility

Acetonitrile (Slightly), Chloroform (Slightly)

Storage condition

Hygroscopic, -20°C Freezer, Under inert atmosphere

Safety Information of 1000933-99-2

Pictograms

Signal Word

 Warning

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

Applications of 1000933-99-2

2-(Boc-amino)-6-hydroxyspiro[3.3]heptane serves as an important building block in organic chemistry, particularly in:

  • Pharmaceutical Development: It can be used as an intermediate in the synthesis of bioactive compounds.
  • Material Science: Its unique structure may contribute to the development of novel materials with specific properties.

Interaction Studies of 1000933-99-2

Interaction studies involving 2-(Boc-amino)-6-hydroxyspiro[3.3]heptane are essential for understanding its potential biological roles. Preliminary investigations could focus on:

  • Binding Affinity: Assessing how well this compound interacts with specific enzymes or receptors.
  • Mechanism of Action: Exploring how it influences biochemical pathways or cellular processes.

Such studies would provide insights into its therapeutic potential and safety profile.

Physical sample testing spectrum (NMR) of 1000933-99-2

Physical sample testing spectrum (NMR) of 1000933-99-2