5588-52-3

Basic information

• Product Name: (6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one(SALTDATA: FREE)
• Synonyms: (6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one(SALTDATA: FREE);(6S,11aR,11bS)-6,8,9,10,11,11a-hexahydro-2H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2-one
• CAS NO: 5588-52-3
• Molecular Formula: C₁₃H₁₅NO₂
• Molecular Weight: 217.2637
• Mol File: 5588-52-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 463.3°Cat760mmHg
• Flash Point: 234°C
• Appearance: /
• Density: 1.5g/cm³
• Vapor Pressure: 9.2E-09mmHg at 25°C
• Refractive Index: 1.646
• CAS DataBase Reference: (6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one(SALTDATA: FREE)(CAS DataBase Reference)
• NIST Chemistry Reference: (6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one(SALTDATA: FREE)(5588-52-3)
• EPA Substance Registry System: (6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one(SALTDATA: FREE)(5588-52-3)

Safety Data

• Hazardous Substances Data: 5588-52-3(Hazardous Substances Data)

Usage

Description

(6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one (SALTDATA: FREE) is a complex organic compound with a unique structure, belonging to the class of furo[2,3-c]pyrido[1,2-a]azepin-2(6H)-one compounds. It exhibits potential pharmacological activity and may be utilized in the development of pharmaceutical drugs or as a research tool in the field of medicinal chemistry. Further studies and research are required to fully understand its potential and applications.

Uses

Used in Pharmaceutical Development:
(6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one (SALTDATA: FREE) is used as a potential pharmaceutical compound for the development of new drugs. Its unique structure and pharmacological activity make it a promising candidate for various therapeutic applications.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, (6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one (SALTDATA: FREE) serves as a valuable research tool. It can be employed to study the structure-activity relationships of related compounds and to develop new methodologies for the synthesis of complex organic molecules.
Used in Drug Delivery Systems:
(6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one (SALTDATA: FREE) may be utilized in the development of novel drug delivery systems. Its unique properties could be harnessed to improve the delivery, bioavailability, and therapeutic outcomes of various pharmaceutical agents.
Used in Chemical Synthesis:
As a complex organic compound, (6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one (SALTDATA: FREE) can be used as a starting material or intermediate in the synthesis of other complex organic molecules. This may include the development of new pharmaceuticals, agrochemicals, or other specialty chemicals.
Used in Analytical Chemistry:
The unique structure of (6S,11aR,11bS)-9,10,11,11a-tetrahydro-8H-6,11b-methanofuro[2,3-c]pyrido[1,2-a]azepin-2(6H)-one (SALTDATA: FREE) makes it a potential candidate for use in analytical chemistry. It could be employed as a reference compound for the development of new analytical methods or as a standard for the calibration of analytical instruments.

InChI:InChI=1/C12H13ClN4O4/c13-11(12(18)16-5-7-21-8-6-16)15-14-9-3-1-2-4-10(9)17(19)20/h1-4,14H,5-8H2

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Relevant articles and documents

Enantioselective approach to securinega alkaloids. Total synthesis of securinine and (-)-norsecurinine

(Chemical Equation Presented) The most representative securinega alkaloids have been synthesized through a new strategy involving the palladium-catalyzed enantioselective allylation of a cyclic imide, a vinylogous Mannich reaction, and a ring-closing meta

A new general access to either type of securinega alkaloids: Synthesis of securinine and (-)-allonorsecurinine

Matrix presented. The syntheses of securinine and (-)-allonorsecurinine have been achieved starting from easily available α-amino acid derivatives and using as key steps a RCM and a Heck reaction for the formation of rings D and C, respectively.

Kinetics and mechanism of the alkaline hydrolysis of securinine

The hydroxide ion-catalyzed hydrolysis of securinine involves the ring opening of the lactone moiety. The rate of hydrolysis is insensitive to the ionic strength. The observed pseudo-first-order rate constants reveal a decrease of approximately 4-fold due to the increase in the MeCN content from 4 to 50% (v/v) in mixed aqueous solvent. The temperature dependence of the rate of hydrolysis follows the Eyring equation, which yields ΔH* and ΔS* as 11.0 kcal mol-1 and -34.5 cal deg-1 mol-1, respectively. The hydroxy carboxylate product of the alkaline hydrolysis of securinine is shown to undergo cyclization in acidic medium to yield securinine. The observed pseudo-first-order rate constants for cyclization increase linearly with an increase in [H+]. The change in the content of MeCN from 3.8 to 47.2% (v/v) in mixed aqueous solvents does not show an effect on the rate of the cyclization reaction. The most plausible mechanisms for alkaline hydrolysis and acid cyclization reactions are also discussed.