161157-50-2

Basic information

• Product Name: tert-butyl (1RS,6SR)-7-ox...
• Synonyms: tert-Butyl 7-oxa-3-aza-bicyclo[4.1.0]heptane-3-carboxylate;1-Boc-3,4-epoxypiperidine;1,1-Dimethylethyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate;1-tert-Butoxycarbonyl-3,4-epoxypiperidine;7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid tert-butyl ester;N-BOC-3,4-epoxypiperidine;tert-butyl (1RS,6SR)-7-ox...;7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-diMethylethyl ester
• CAS NO: 161157-50-2
• Molecular Formula: C₁₀H₁₇NO₃
• Molecular Weight: 199.24688
• Mol File: 161157-50-2.mol
• Article Data: 39

Chemical Properties

• Boiling Point: 272.5±23.0 °C(Predicted)
• Appearance: /
• Density: 1.141±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: -0.83±0.20(Predicted)
• CAS DataBase Reference: tert-butyl (1RS,6SR)-7-ox...(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl (1RS,6SR)-7-ox...(161157-50-2)
• EPA Substance Registry System: tert-butyl (1RS,6SR)-7-ox...(161157-50-2)

Safety Data

• Hazardous Substances Data: 161157-50-2(Hazardous Substances Data)

Usage

General Description

Tert-butyl (1RS,6SR)-7-oxabicyclo[4.1.0]hept-2-ene-2-carboxylate is a synthetic compound with a complex molecular structure. It is a tert-butyl ester of a bicyclic compound, and its chemical formula is C13H20O3. This chemical is commonly used in organic synthesis and as a reagent in various chemical reactions. It has potential applications in the pharmaceutical industry, particularly in the development of new drugs and medicinal compounds. Additionally, its unique structure and properties make it a valuable tool for studying the behavior of organic molecules in different environments.

Upstream product

• 694-05-3 1,2,3,6-tetrahydropyridine 
• 24424-99-5 di-tert-butyl dicarbonate 
• 141699-59-4 1-(tert-butoxycarbonyl)piperidin-4-yl methanesulfonate 
• 109384-19-2 t-butyl 4-hydroxy piperidine-1-carboxylate 
• 131667-57-7 tert-butyl 1,2,3,4-tetrahydro-1-pyridinecarboxylate 
• 66207-08-7 3,4-epoxy-piperidine-1-carboxylic acid benzyl ester 
• 2876-13-3 N-benzylpyridinium chloride 
• 52003-32-4 ethyl 1,2,3,6-tetrahydropyridine-1-carboxylate 
• 85838-94-4 N-Boc-1,2,3,6-tetrahydropyridine 

Downstream Products

• 1174020-46-2 racemic trans-tert-butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate 
• 156496-89-8 tert-butyl 3-oxo-3,6-dihydropyridine-1 (2H)-carboxylate 
• 1351571-42-0 (5Z)-5-({1-[4-chloro-2-(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-3-(3R,4R)-(3-fluoro-1-methylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione 
• 1548129-04-9 (Z)-5-((1-(4-chloro-2-(trifluoromethyl)benzyl)-1H-indazol-5-yl)methylene)-3-((3R,4R)-3-fluoro-1-methylpiperidin-4-yl)thiazolidine-2,4-dione hydrochloride salt 
• 1548129-12-9 C₂₉H₂₇ClF₄N₄O₄S 
• 1548129-20-9 C₂₉H₂₇ClF₄N₄O₄S 
• 1351571-37-3 (5Z)-5-({1-[4-chloro-2-(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-3-[(3R,4R)-3-fluoropiperidin-4-yl]-1,3-thiazolidine-2,4-dione 
• 1548128-76-2 C₂₉H₂₇ClF₄N₄O₄S 
• 1548128-70-6 C₂₉H₂₈ClF₃N₄O₅S 
• 1548128-74-0 C₂₉H₂₈ClF₃N₄O₅S 

Relevant articles and documents

Iron-Catalyzed Tunable and Site-Selective Olefin Transposition

The catalytic isomerization of C-C double bonds is an indispensable chemical transformation used to deliver higher-value analogues and has important utility in the chemical industry. Notwithstanding the advances reported in this field, there is compelling demand for a general catalytic solution that enables precise control of the C═C bond migration position, in both cyclic and acyclic systems, to furnish disubstituted and trisubstituted alkenes. Here, we show that catalytic amounts of an appropriate earth-abundant iron-based complex, a base and a boryl compound, promote efficient and controllable alkene transposition. Mechanistic investigations reveal that these processes likely involve in situ formation of an iron-hydride species which promotes olefin isomerization through sequential olefin insertion/β-hydride elimination. Through this strategy, regiodivergent access to different products from one substrate can be facilitated, isomeric olefin mixtures commonly found in petroleum-derived feedstock can be transformed to a single alkene product, and unsaturated moieties embedded within linear and heterocyclic biologically active entities can be obtained.

Synthesis, molecular modeling and evaluation of α-glucosidase inhibition activity of 3,4-dihydroxy piperidines

Biological evaluation of 3,4-dihydroxy piperidines as α-glucosidase inhibitors is being reported for the first time. Forty-five derivatives (amides, di-amides and sulfonamides) were made using cis and trans 3,4-dihydroxy piperidines to evaluate their α-glucosidase inhibition activity. Polar groups (-OH, -NH2) on phenyl ring having derivatives 5i, 5l, 7g, 7i & 12j showed excellent activity compared to standard references. Acarbose, Voglibose and Miglitol were used as standard references. Molecular docking simulations were done for compounds to identify important binding modes responsible for inhibition activity of α-glucosidase.

HETEROCYCLIC COMPOUND

The problem of the present invention is to provide a compound having a superior RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like. The present invention relates to a compound represented by the formula (I): [wherein each symbol is as described in the DESCRIPTION] or a salt thereof, which has an RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like.