72064-51-8

Basic information

• Product Name: (S)-1-benzyl-3-tert-butyl piperazine-1,3-dicarboxylate
• Synonyms: (S)-1-benzyl-3-tert-butyl piperazine-1,3-dicarboxylate;(S)-4-(benzyloxycarbonyl)-2-tert-butylpiperazine-2-carboxylic acid;(S)-1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid,t-butyl ester;(3S)-Tetrahydro-1,3(2H)-pyridazinedicarboxylic acid 3-(tert-butyl) 1-(phenylmethyl) ester;(S)-Tetrahydro-1,3(2H)-pyridazinedicarboxylic acid 3-(tert-butyl) 1-(phenylmethyl) ester;(S)-1-Benzyl 3-tert-butyl tetrahydropyridazine-1,3(2H)-dicarboxylate;(S)-1-CBZ-HEXAHYDROPYRIDAZINE-3-CARBOXYLIC ACID T-BUTYL ESTER
• CAS NO: 72064-51-8
• Molecular Formula: C₁₇H₂₄N₂O₄
• Molecular Weight: 320.38346
• Mol File: 72064-51-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 415.332°C at 760 mmHg
• Flash Point: 204.986°C
• Appearance: /
• Density: 1.148
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.526
• Storage Temp.: 2-8°C
• CAS DataBase Reference: (S)-1-benzyl-3-tert-butyl piperazine-1,3-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-1-benzyl-3-tert-butyl piperazine-1,3-dicarboxylate(72064-51-8)
• EPA Substance Registry System: (S)-1-benzyl-3-tert-butyl piperazine-1,3-dicarboxylate(72064-51-8)

Safety Data

• Hazardous Substances Data: 72064-51-8(Hazardous Substances Data)

Usage

General Description

(S)-1-benzyl-3-tert-butyl piperazine-1,3-dicarboxylate is a chemical compound that is derived from piperazine, an organic compound commonly used as a building block in the synthesis of pharmaceuticals. This particular compound is a piperazine derivative with a benzyl and tert-butyl group attached to the piperazine ring, as well as two carboxylate groups. It is commonly used as an intermediate in the synthesis of other pharmaceutical compounds and may also have potential uses in medicinal chemistry. The compound's structure and functional groups make it a versatile building block for the creation of new pharmaceuticals and medicinal compounds.

InChI:InChI=1/C17H24N2O4/c1-17(2,3)23-15(20)14-10-7-11-19(18-14)16(21)22-12-13-8-5-4-6-9-13/h4-6,8-9,14,18H,7,10-12H2,1-3H3/t14-/m0/s1

Upstream product

• 65632-62-4 (3S)-hexahydro-1,3-pridazinedicarboxylic acid 1-(phenylmethyl) ester 
• 115-11-7 isobutene 
• 4509-90-4 5-bromovaleroyl chloride 
• 156699-37-5 (S)-4-benzyl-3-(5-bromopentanoyl)oxazolidine-2-one 
• 156699-39-7 (3S)-N,N'-bis-(t-butoxycarbonyl)hexahydropyridazine-3-carboxylic acid 
• 156699-38-6 (4S)-3-<(3S)-N,N'-bis(t-butoxycarbonyl)hexahydropyridazine-3-carboxy>-4-phenylmethyl-2-oxazolidinone 

Downstream Products

• 106860-13-3 (S)-2-[(S)-4-Benzyloxycarbonyl-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyryl]-tetrahydro-pyridazine-1,3-dicarboxylic acid 1-benzyl ester 3-tert-butyl ester 
• 147983-31-1 tert-butyl (3S)-1-benzyloxycarbonyl-2-<(2R)-1-oxo-2-<(2,2,2-trichloroethoxycarbonyl)methyl>heptyl>hexahydropyridazine-3-carboxylate 
• 153642-62-7 tert-butyl (3S)-1-benzyloxycarbonyl-2-<(2S)-1-oxo-2-<(2,2,2-trichloroethoxycarbonyl)methyl>heptyl>hexahydropyridazine-3-carboxylate 
• 153428-05-8 (S)-2-[(R)-2-(2,2,2-Trichloro-ethoxycarbonylmethyl)-octanoyl]-tetrahydro-pyridazine-1,3-dicarboxylic acid 1-benzyl ester 3-tert-butyl ester 
• 153428-15-0 (S)-2-[(R)-2-(2,2,2-Trichloro-ethoxycarbonylmethyl)-nonanoyl]-tetrahydro-pyridazine-1,3-dicarboxylic acid 1-benzyl ester 3-tert-butyl ester 
• 153427-94-2 (S)-2-[(R)-2-(2,2,2-Trichloro-ethoxycarbonylmethyl)-decanoyl]-tetrahydro-pyridazine-1,3-dicarboxylic acid 1-benzyl ester 3-tert-butyl ester 
• 163389-09-1 tert-butyl (3S)-1-benzyloxycarbonyl-2-<(2R)-1-oxo-2-<(2,2,2-trichloroethoxycarbonyl)methyl>undecyl>hexahydropyridazine-3-carboxylate 
• 153428-25-2 (S)-2-[(R)-2-(2,2,2-Trichloro-ethoxycarbonylmethyl)-dodecanoyl]-tetrahydro-pyridazine-1,3-dicarboxylic acid 1-benzyl ester 3-tert-butyl ester 
• 173469-54-0 tert-butyl (3S)-1-benzyloxycarbonyl-2-<(3R)-3-(2,2,2-trichloroethoxycarbonyl)-1-oxooctyl>hexahydropyridazine-3-carboxylate 
• 173469-55-1 tert-butyl (3S)-1-benzyloxycarbonyl-2-<(3S)-3-(2,2,2-trichloroethoxycarbonyl)-1-oxooctyl>hexahydropyridazine-3-carboxylate 
• 106928-72-7 (1S,9S)-t-butyl 1,2,3,4,7,8,9,10-octahydro-6,10-dioxo-9-phthalimidopyridazino<1,2-a><1,2>diazepine-1-carboxylate 
• 192753-57-4 (1S,9S)-9-Benzoylamino-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid 
• 192753-53-0 9-benzoylamino-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid tert-butyl ester 
• 192755-43-4 3-[(9-benzoylamino-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carbonyl)-amino]-4-oxo-butyric acid tert-butyl ester 

Relevant articles and documents

An efficient stereoselective synthesis of [3S(1S,9S)]-3-[[[9- (benzoylamino)octahydro-6,10-dioxo-6H-pyridazino-(1,2-a)(1,2)-diazepin-1- yl]-carbonyl]amino]-4-oxobutanoic acid, an interleukin converting enzyme (ICE) inhibitor

The title compound 1 is a potent interleukin-1β-converting enzyme (ICE) inhibitor. Recently, an efficient chiral synthesis of compound 1 has been accomplished in our labs. The overall yield of this 18-step stereoselective synthesis was 9.8%.