159503-91-0

Basic information

• Product Name: tert-butyl 4-broMo-5,6-dihydropyridine-1(2H)-carboxylate
• Synonyms: tert-butyl 4-broMo-5,6-dihydropyridine-1(2H)-carboxylate
• CAS NO: 159503-91-0
• Molecular Formula: C₁₀H₁₆BrNO₂
• Molecular Weight: 262.14354
• EINECS: -0
• Mol File: 159503-91-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 299.6±40.0 °C(Predicted)
• Appearance: /
• Density: 1.377±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -2.90±0.40(Predicted)
• CAS DataBase Reference: tert-butyl 4-broMo-5,6-dihydropyridine-1(2H)-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 4-broMo-5,6-dihydropyridine-1(2H)-carboxylate(159503-91-0)
• EPA Substance Registry System: tert-butyl 4-broMo-5,6-dihydropyridine-1(2H)-carboxylate(159503-91-0)

Safety Data

• Hazardous Substances Data: 159503-91-0(Hazardous Substances Data)

Usage

General Description

Tert-butyl 4-bromo-5,6-dihydropyridine-1(2H)-carboxylate is a chemical compound with the molecular formula C11H15BrNO2. It is a derivative of pyridine and belongs to the class of organic compounds known as esters. tert-butyl 4-broMo-5,6-dihydropyridine-1(2H)-carboxylate is commonly used in organic synthesis and pharmaceutical research. It is known for its role in the synthesis of various pharmaceuticals and other biologically active compounds. Tert-butyl 4-bromo-5,6-dihydropyridine-1(2H)-carboxylate is a valuable intermediate in the production of a wide range of products due to its unique chemical properties and versatility in chemical reactions.

Upstream product

• 24608-52-4 tert-butyl chloroformate 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 589-87-7 1,4-bromoiodobenzene 
• 375853-82-0 tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate 
• 138647-49-1 4-Trifluoromethanesulfonyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 

Downstream Products

• 1167991-21-0 N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid neopentyl glycol ester 
• 375853-82-0 tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate 
• 1240969-31-6 4-(4-ethoxycarbonylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 
• 741729-98-6 ethyl 4-(piperidin-4-yl)benzoate 
• 206446-48-2 tert-butyl 4-[4-(ethoxycarbonyl)phenyl]piperidine-1-carboxylate 

Relevant articles and documents

Novel synthesis method of N-Boc-1,2,5,6-tetrahydropyridine-4-boric acid pinacol ester

The invention discloses a novel synthesis method of N-Boc-1,2,5,6-tetrahydropyridine-4-boric acid pinacol ester. The synthesis method comprises following three steps: taking 4-bromopyridine hydrochloride as the primary raw material, reacting 4-bromopyridine hydrochloride with tert-butyl chloroformate or di-tert-butyl bicarbonate to prepare 4-bromo-N-Boc-pyridine chloride; reducing 4-bromo-N-Boc-pyridine chloride by NaBH4 to prepare N-Boc piperidine-4-vinyl bromide; and finally, carrying out coupling reactions between N-Boc piperidine-4-vinyl bromide and bis(pinacolato) diboron to prepare the target product: N-Boc-1,2,5,6-tetrahydropyridine-4-boric acid pinacol ester. The synthesis route has the advantages of easily available raw materials, mild conditions, few byproducts, and high yield, and is suitable for industrial enlarged production.

Synthesis method of N-substituted-1,2,5,6-tetrahydropyridine-4-borate

The invention discloses a synthesis method of N-substituted-1,2,5,6-tetrahydropyridine-4-borate. According to the synthesis method, N-substituted-4-piperidone is taken as the raw material, N-substituted-4-piperidone, triaryl phosphite, halogen, and organic alkali carry out reactions, the carbonyl group is converted into vinyl halogen, and finally the reaction product reacts with isopropyl magnesium chloride-lithium chloride and alkoxyl borate to generate N-substituted-1,2,5,6-tetrahydropyridine-4-borate. The synthesis method has the advantages that the raw materials are easily available, the operation is simple and convenient, the product purity is high, the ultralow temperature condition and palladium catalytic coupling are not needed, the cost is reduced, the route is optimized, and thus the product is competitive in the market.

Nitrogen aryl benzothiazole PARP inhibitors, preparation methods and uses thereof

The present invention discloses a class of novel PARP inhibitor compounds represented by the following general formula I and having a nitrogen aryl benzothiazole structure, stereoisomers, preparation methods and intermediates thereof, and applications of the novel PARP inhibitor compounds in preparation of drugs for prevention and treatment of PARP (poly ADP-ribose-ribose polymerase) related diseases. Compared to the similar drugs in the prior art, the compounds of the preset invention hava advantages of long in vivo action time, long half life, and significantly improved bioavailability. The general formula I is defined in the specification.