118811-07-7

Basic information

• Product Name: 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
• Synonyms: N-BOC-4-TOXYLOXY-PIPERIDINE;4-(Toluene-4-sulfonyloxy)piperidine-1-carboxylic acid tert-butyl ester;1-Boc-4-(tosyloxy)piperidine;(1-BOC-piperidin-4-yl)tosylate;t-Butyl 4-(tosyloxy)piperidine-1-carboxylate;tert-butyl 4-(tosyloxy)piperidine-1-carboxylate;1-Piperidinecarboxylic acid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester;1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine
• CAS NO: 118811-07-7
• Molecular Formula: C₁₇H₂₅NO₅S
• Molecular Weight: 355.45
• Mol File: 118811-07-7.mol
• Article Data: 41

Chemical Properties

• Melting Point: 96.0 to 100.0 °C
• Boiling Point: 475.282 °C at 760 mmHg
• Flash Point: 241.242 °C
• Appearance: /
• Density: 1.237 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.553
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: -2.97±0.40(Predicted)
• CAS DataBase Reference: 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(118811-07-7)
• EPA Substance Registry System: 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(118811-07-7)

Safety Data

• Hazardous Substances Data: 118811-07-7(Hazardous Substances Data)

Usage

Description

4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is a piperidine derivative featuring a piperidine ring with a tert-butyl ester group and a toluene-4-sulfonyloxy group. This chemical compound is recognized for its unique structure and reactivity, making it a valuable building block in organic synthesis and pharmaceutical research for the development of bioactive molecules and novel therapeutic agents for various medical conditions.

Uses

Used in Pharmaceutical Research:
4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is used as a building block for the synthesis of bioactive molecules, contributing to the discovery and development of new drugs for a wide range of medical conditions.
Used in Organic Synthesis:
In the field of organic synthesis, 4-(TOLUENE-4-SULFONYLOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is utilized for the creation of complex organic compounds, leveraging its unique reactivity and structural features to facilitate the synthesis of target molecules.

InChI:InChI=1/C17H25NO5S/c1-13-5-7-15(8-6-13)24(20,21)23-14-9-11-18(12-10-14)16(19)22-17(2,3)4/h5-8,14H,9-12H2,1-4H3

Upstream product

• 98-59-9 p-toluenesulfonyl chloride 
• 109384-19-2 t-butyl 4-hydroxy piperidine-1-carboxylate 
• 86953-81-3 tert-butyl 2-hydroxypiperidine-1-carboxylate 
• 123855-51-6 tert-butyl 4-(hydroxymethyl)piperidin-1-carboxylate 
• 5382-30-9 1-(1,1-dimethylethyl)-4-piperidinol 
• 5382-16-1 4-HYDROXYPIPERIDINE 
• 24424-99-5 di-tert-butyl dicarbonate 

Downstream Products

• 1217902-11-8 tert-butyl 4-(5-(2-phenylpyrimidin-5-yl)-2H-tetrazol-2-yl)piperidine-1-carboxylate 
• 1083088-79-2 tert-butyl 4-(3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)piperidine-1-carboxylate 
• 85838-94-4 N-Boc-1,2,3,6-tetrahydropyridine 
• 475062-48-7 tert-butyl 3,4-dihydroxypiperidine-1-carboxylate 
• 1438073-92-7 N-(3-chloro-4-fluorophenyl)-6-(3-(hexahydro-[1,4]dioxino[2,3-c]pyridin-6(7H)-yl)propoxy)-7-methoxyquinazolin-4-amine 
• 1146362-10-8 4-[4-(4,5-dihydroxazol-2-yl)-phenoxy]-piperidine 
• 1612155-93-7 tert-butyl 4-(4-acetamidophenyl)piperidine-1-carboxylate 
• 183950-95-0 tert-butyl 4-(4'-fluorophenyl)piperidine-1-carboxylate 
• 201609-29-2 1-t-Butoxycarbonyl-4-(2-methoxyphenyl)piperidine 
• 1160653-60-0 4-(2-formyl-4-iodo-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester 
• 929095-74-9 1,1-dimethylethyl 4-({1-[5-[(methyloxy)carbonyl]-4-({(1R)-1-[2-(trifluoromethyl)phenyl]ethyl}oxy)-2-thienyl]-1H-benzimidazol-6-yl}oxy)-1-piperidinecarboxylate 
• 141699-66-3 1-tert-Butyloxycarbonyl-4-(acetylsulfanyl)piperidine 
• 867216-37-3 tert-butyl 4-(3-chloro-2-formylphenoxy)piperidine-1-carboxylate 
• 262441-54-3 5-(4-phenoxyphenyl)-7-(piperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine 

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A series of chemical optimizations, which was guided by in vitro affinity at histamine H3 receptor (H3R), modulation of lipophilicity, ADME properties and preclinical efficacy resulted in the identification of 1-[2-(1-cyclobutylpiperidin-4-yloxy)-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl]propan-1-one (45 e) as a potent and selective (Ki=4.0 nM) H3R inverse agonist. Dipsogenia induced by (R)-α-methylhistamine was dose dependently antagonized by 45 e, confirming its functional antagonism at H3R. It is devoid of hERG and phospholipidosis issues. Compound 45 e has adequate oral exposures and favorable half-life in both rats and dogs. It has demonstrated high receptor occupancy (ED80=0.22 mg/kg) and robust efficacy in object recognition task and, dose dependently increased acetylcholine levels in brain. The sub-therapeutic doses of 45 e in combination with donepezil significantly increased acetylcholine levels. The potent affinity, selectivity, in vivo efficacy and drug like properties together with safety, warrant for further development of this molecule for potential treatment of cognitive disorders associated with Alzheimer's disease.