792586

Sigma-Aldrich

tert-Butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate

95%

Empirical Formula (Hill Notation):
C12H19NO4
CAS号:
分子量:
241.28
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

95%

refractive index

n20/D 1.474

density

1.052 g/mL at 25 °C

storage temp.

2-8°C

SMILES string

CC(C)(C)OC(N(C1)CC1=CC(OCC)=O)=O

InChI

1S/C12H19NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h6H,5,7-8H2,1-4H3

InChI key

WYWJZDFQQJTRDD-UHFFFAOYSA-N

Application

Building block used as a precursor to the synthesis of thia and oxa-azaspiro[3.4]octanes. As reported in the Carreira lab, the product can readily undergo [3+2] cycloadditions with dipolariphiles to generate a series of small-ring spirocycles.

Packaging

1, 5 g in glass bottle

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

技术文章
Spirocyclic modules containing four-membered rings are currently of growing interest to discovery chemists.
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相关内容
The Carreira Research Group is focused on expanding and creating access to uncharted landscape in chemical space. In joint efforts with SpiroChem, Carreira develops innovative spirocyclic building blocks, seeking to make them available to the community at large. Molecules constructed from these building blocks take on unique three-dimensional profiles due to the underlying spirocyclic scaffold, enriched by the presence of diverse combinations of exit vectors as sites for functionalization. Importantly, the spirocyclic building blocks possess physicochemical properties useful in the drug discovery process. Thus, drug leads can be tuned through appending these subunits to the periphery of a given scaffold. Moreover, these compact modules represent a useful collection of unprecedented inputs for fragment-based libraries. In all applications, the inherent novelty of the structure affords researchers new opportunities to run wild in their designs and avenues to chemical space – with their imagination as the sole limitations. We are proud to partner in the efforts to make these building blocks widely available.
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