186650-98-6

Basic information

• Product Name: TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
• Synonyms: BUTTPARK 98\06-100;4-(PIPERAZIN-4-YL)BENZONITRILE, N1-BOC PROTECTED;TERT-BUTYL 4-(4-CYANOPHENYL)PIPERAZINE-1-CARBOXYLATE;TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;4-(Piperazin-4-yl)benzonitrile, N1-BOC protected 97%;1-Boc-4-(4-cyanophenyl)piperazine;4-(4-Cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;4-(Piperazin-4-yl)benzonitrile,N1-BOCprotected97%
• CAS NO: 186650-98-6
• Molecular Formula: C₁₆H₂₁N₃O₂
• Molecular Weight: 287.36
• Mol File: 186650-98-6.mol

Chemical Properties

• Melting Point: 128-126°C
• Boiling Point: 445.7 °C at 760 mmHg
• Flash Point: 223.4 °C
• Appearance: /
• Density: 1.17 g/cm³
• Vapor Pressure: 3.86E-08mmHg at 25°C
• Refractive Index: 1.571
• CAS DataBase Reference: TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE(186650-98-6)
• EPA Substance Registry System: TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE(186650-98-6)

Safety Data

• Hazard Codes: Harmful:
• HazardClass: IRRITANT
• Hazardous Substances Data: 186650-98-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE is used as a building block for the synthesis of bioactive molecules, playing a crucial role in the development of new pharmaceuticals. Its unique structure allows for the creation of compounds with potential therapeutic effects.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE is utilized for its potential to contribute to the discovery of new drugs. Its properties may enable the design of molecules with specific biological activities, targeting various diseases and conditions.
Used in Drug Discovery:
TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE is employed in drug discovery processes to identify and develop new chemical entities with therapeutic potential. Its incorporation into drug candidates can lead to the creation of innovative treatments for a range of medical needs.

InChI:InChI=1/C16H21N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-6-4-13(12-17)5-7-14/h4-7H,8-11H2,1-3H3

Upstream product

• 1194-02-1 4-fluorobenzonitrile 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 34916-10-4 4-cyanocyclohexanone 
• 1118-03-2 trimethyltin azide 
• 24424-99-5 di-tert-butyl dicarbonate 
• 68104-63-2 N-(4-cyanophenyl)piperazine 
• 623-00-7 4-bromobenzenecarbonitrile 
• 623-03-0 4-Cyanochlorobenzene 

Downstream Products

• 1403940-97-5 6-chloro-2-ethyl-N-(4-(4-(4-fluorobenzoyl)piperazin-1-yl)benzyl)imidazo[1,2-a]pyridine-3-carboxamide 
• 68104-63-2 N-(4-cyanophenyl)piperazine 
• 1291057-72-1 4-[4-(3-benzo[b]thiophen-3-yl-3-oxopropyl)piperazin-1-yl]benzonitrile 
• 1291057-86-7 4-[4-(3-benzo[b]thiophen-3-yl-3-hydroxypropyl)piperazin-1-yl]benzonitrile 
• 179328-27-9 4-(4-{[Ethyl-(2-{ethyl-[4-oxo-4-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-butyryl]-amino}-ethyl)-amino]-methyl}-phenyl)-piperazine-1-carboxylic acid tert-butyl ester 
• 179328-87-1 4-(4-{[Ethyl-(2-ethylamino-ethyl)-amino]-methyl}-phenyl)-piperazine-1-carboxylic acid tert-butyl ester 
• 831203-79-3 4-(4-{[(5-nitro-furan-2-carbonyl)-amino]-methyl}-phenyl)-piperzine-1-carboxylic acid ter-butyl ester 
• 831203-80-6 5-nitro-furan-2-carboxylic acid 4-piperazin-1-yl-benzylamide 
• 852180-47-3 tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-1-carboxylate 
• 197638-83-8 4-(4-(1,1-dimethylethoxycarbonyl)piperazinyl)benzaldehyde 

Relevant articles and documents

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The N-arylation of various amines with aryl chlorides proceeded in good-to-excellent yields in the presence of P[N{(p-NMe2)C6H4CH2}CH2CH2]3N (1e, a new electron-rich proazaphosphatrane ligand) and small amounts of Pd2(dba)3 (dba = dibenzylideneacetone). This catalytic system was also very effective for the synthesis of carbazoles. An efficient palladium-catalyzed N-arylation reaction of amines under mild conditions with a tuned bicyclic proazaphosphatrane has been developed.

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