tert-Butyl 3-cyano-3-fluoroazetidine-1-carboxylate

Name: tert-Butyl 3-cyano-3-fluoroazetidine-1-carboxylate
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CAS No. 1788041-57-5
Cat. No. CS-0048307
Molecule weight200.21
Purity≥98%
MDL No.None

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tert-Butyl 3-cyano-3-fluoroazetidine-1-carboxylate|CS-0048307

Structure of 1788041-57-5

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General Information

CAS No. 1788041-57-5
Cat. No. CS-0048307
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₃FN₂O₂
Molecular Weight 200.21
Synonym(s) 1-Azetidinecarboxylic acid, 3-cyano-3-fluoro-, 1,1-dimethylethyl ester
SMILES CC(C)(C)OC(=O)N1CC(F)(C1)C#N

Description

tert-Butyl 3-cyano-3-fluoroazetidine-1-carboxylate delivers a strained, electron-deficient azetidine core functionalized with both cyano and fluoro groups. This sterically encumbered scaffold integrates readily into complex molecular architectures, enabling direct access to fluorinated heterocycles under mild conditions.

Application

tert-Butyl 3-cyano-3-fluoroazetidine-1-carboxylate serves as a versatile, bench-stable building block for the synthesis of fluorinated azetidine-containing scaffolds. The molecule enables efficient access to biologically relevant heterocycles through orthogonal functional group manipulation, with the cyano and fluoro groups offering complementary reactivity for downstream transformations. Its tert-butyl carbamate handle facilitates straightforward deprotection under mild acidic conditions, making it ideal for use in medicinal chemistry campaigns targeting constrained cyclic amine motifs.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 53.33
LogP 1.46898
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aliphatic heterocycle compounds Azetidine compounds

Key Words

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tert-Butyl 3-cyano-3-fluoroazetidine-1-carboxylate

CAS No. 1788041-57-5

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