183742-29-2

Basic information

• Product Name: 1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
• Synonyms: 1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate;Ethyl 1-Boc-piperazine-3-carboxylate, 97%;1-(1,1-dimethylethyl)-3-ethyl 1,3-piperazinedicarboxylate;1-(tert-butyloxycarbonyl)-3-ethoxycarbonyl-piperazine;1-O-tert-butyl 3-O-ethyl piperazine-1,3-dicarboxylate;1-tert-butoxycarbonyl-3-ethoxycarbonylpiperazine;piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester
• CAS NO: 183742-29-2
• Molecular Formula: C₁₂H₂₂N₂O₄
• Molecular Weight: 258.31408
• EINECS: -0
• Mol File: 183742-29-2.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 384.421°C at 760 mmHg
• Flash Point: 186.292°C
• Appearance: /Solid
• Density: 1.128g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.484
• Storage Temp.: 2-8°C
• PKA: 6.57±0.40(Predicted)
• CAS DataBase Reference: 1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate(183742-29-2)
• EPA Substance Registry System: 1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate(183742-29-2)

Safety Data

• Hazardous Substances Data: 183742-29-2(Hazardous Substances Data)

Usage

General Description

1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate is a chemical compound which belongs to the organic category of compounds called piperazines. Piperazines are a broad class used in multiple fields, including medical, chemical, and industrial applications. This specific compound is notably derived from piperazine-1,3-dicarboxylate that carries ethyl and tert-butyl ester functional groups at positions 1 and 3. While it doesn’t appear to have significant commercial use, it’s mostly recognized in the research and academia for its potential applications or as an intermediate in the synthesis of other chemical compounds. Its properties include being a colorless liquid and exhibiting strong absorption in the ultraviolet-visible range. Care should be taken in its handling as it may cause skin, eye, and respiratory irritation upon exposure.

InChI:InChI=1/C12H22N2O4/c1-5-12(9(15)16)8-14(7-6-13-12)10(17)18-11(2,3)4/h13H,5-8H2,1-4H3,(H,15,16)

Upstream product

• 58632-95-4 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile 
• 140-28-3 N,N'-Dibenzylethylenediamine 
• 24424-99-5 di-tert-butyl dicarbonate 
• 129798-91-0 ethyl piperazine-2-carboxylate dihydrochloride 
• 1557288-75-1 tert-butyl (2-(1,3-dioxoisoindolin-2-yl)ethyl)((tributylstannyl)methyl)carbamate 
• 77361-32-1 N-(2-tert-butoxycarbonylaminoethyl)phthalimide 
• 39684-80-5 2-(tert-butoxycarbonylamino)ethyl bromide 
• 336818-63-4 ethyl 1-benzyloxycarbonyl-4-(tert-butoxycarbonyl)-2-piperazinecarboxylate 
• 89941-07-1 ethyl 2-piperazinecarboxylate 
• 218947-56-9 4-benzoyl-1-(4-hydroxy-benzenesulfonyl)-[1,4]diazepane-2-carboxylic acid methyl ester 

Downstream Products

• 287403-51-4 4-(4-but-2-ynyloxy-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester 
• 336817-63-1 ethyl 1-[N-(3,5-dichlorophenyl)carbamoyl]-4-tert-butoxycarbonyl-2-piperazinecarboxylate 
• 301673-16-5 tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate 
• 183742-28-1 ethyl 4-(1,1-dimethylethoxycarbonyl)-1-(phenylmethyl)-2-piperazinecarboxylate 
• 499780-58-4 4-[(tert-butoxy)carbonyl]-1-(4-fluorophenyl)piperazine-2-carboxylic acid 
• 864875-65-0 1-(4-but-2-ynyloxy-benzenesulfonyl)-4-(thiophene-2-carbonyl)-piperazine-2-carboxylic acid ethyl ester 
• 287403-52-5 4-(4-But-2-ynyloxy-benzenesulfonyl)-3-hydroxycarbamoyl-piperazine-1-carboxylic acid tert-butyl ester 
• 864875-68-3 1-(4-but-2-ynyloxy-benzenesulfonyl)-4-diethylcarbamoyl-piperazine-2-carboxylic acid ethyl ester 
• 864875-61-6 1-(4-but-2-ynyloxy-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid ethyl ester 

Relevant articles and documents

An integrated console for capsule-based, automated organic synthesis

The current laboratory practices of organic synthesis are labor intensive, impose safety and environmental hazards, and hamper the implementation of artificial intelligence guided drug discovery. Using a combination of reagent design, hardware engineering, and a simple operating system we provide an instrument capable of executing complex organic reactions with prepacked capsules. The machine conducts coupling reactions and delivers the purified products with minimal user involvement. Two desirable reaction classes-the synthesis of saturated N-heterocycles and reductive amination-were implemented, along with multi-step sequences that provide drug-like organic molecules in a fully automated manner. We envision that this system will serve as a console for developers to provide synthetic methods as integrated, user-friendly packages for conducting organic synthesis in a safe and convenient fashion. This journal is

SnAP reagents for the synthesis of piperazines and morpholines

Substituted piperazines and morpholines are valuable structural motifs in biologically active compounds, but are not easily prepared by contemporary cross-coupling approaches. In this report, we introduce SnAP reagents for the transformation of aldehydes into N-unprotected piperazines and morpholines. This approach offers simple, mild conditions compatible with aromatic, heteroaromatic, aliphatic, and glyoxylic aldehydes and provides mono- and disubstituted N-heterocycles in a single step.

INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION

The present invention relates to a compound of formula: (I), or a pharmaceutically acceptable salt thereof.