868063-71-2

Basic information

• Product Name: 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester
• Synonyms: 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester
• CAS NO: 868063-71-2
• Molecular Weight: 310.824
• Mol File: 868063-71-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 412.3±40.0 °C(Predicted)
• Density: 1.152±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester(868063-71-2)
• EPA Substance Registry System: 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester(868063-71-2)

Safety Data

• Hazardous Substances Data: 868063-71-2(Hazardous Substances Data)

Usage

Structure

Tert-butyl ester derivative of diazepane, a heterocyclic compound with a seven-membered ring containing four carbon atoms, two nitrogen atoms, and one oxygen atom.

Functional Groups

Diazepane ring, tert-butyl ester, chlorophenyl group

Pharmacological Properties

Influence conferred by the 2-chlorophenyl group attached to the diazepane ring, contributing to potential pharmaceutical applications.

Applications

Research and development of pharmaceutical drugs, potentially for treating various medical conditions.

Significance

Valuable target for further chemical synthesis and biological testing due to its unique structure and potential pharmacological activity.

Upstream product

• 615-41-8 2-iodochlorobenzene 
• 112275-50-0 tert-butyl 1,4-diazepine-1-carboxylate 
• 88284-48-4 2-(trimethylsilyl)phenyl trifluoromethanesulfonate 
• 694-80-4 2-bromo-1-chlorobenzene 

Downstream Products

• 866555-51-3 1-(2-chlorophenyl)homopiperazine 
• 91532-33-1 1-(3-Chloro-4-fluorophenyl)piperazine 

Relevant articles and documents

PYRROLE mTORC INHIBITORS AND USES THEREOF

The present invention provides compounds, compositions thereof, and methods of using the same.

Synthesis of ortho -haloaminoarenes by aryne insertion of nitrogen-halide Bonds

A rapid and general access to ortho-haloaminoarenes has been developed by aryne insertion into N-chloramine, N-bromoamine, and N-iodoamine bonds via two complementary protocols harnessing fluoride-promoted 1,2-elimination of ortho-trimethylsilyl aryltriflates. Typically, electron-deficient N-chloramines effectively react with aryne intermediates generated at elevated temperature with CsF, while less stable N-haloamines are found more efficient under milder, TBAF-mediated aryne formation at room temperature. Both protocols demonstrate a good level of regioselectivity and functional group tolerance. Efforts to elucidate the mechanism of N-X insertion are also discussed. The practical value of this transformation is highlighted by rapid synthesis of novel analogues of the antipsychotic cariprazine.

An improved synthesis of N-aryl and N-heteroaryl substituted homopiperazines-from conventional thermal conditions to scaling-up using microwave heating

An efficient Pd(0)-catalyzed Buchwald-Hartwig protocol for the facile preparation of N-aryl and N-heteroaryl substituted homopiperazines is described. The syntheses proceeded with aryl- and heteroaryl halides in high yields using X-Phos as best ligand. Th