cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester

Base Information

• Chemical Name: cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester
• CAS No.: 145033-25-6
• Molecular Formula: C₁₀H₁₆N₂O₃
• Molecular Weight: 212.249
• DSSTox Substance ID: DTXSID10434519
• Wikidata: Q82248963
• Mol file: 145033-25-6.mol

Synonyms:145033-25-6;cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester;(7R,9aS)-Methyl 1-oxooctahydro-1H-pyrido[1,2-a]pyrazine-7-carboxylate;Methyl (7R,9aS)-1-oxooctahydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate;methyl (7R,9aS)-1-oxo-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-7-carboxylate;SCHEMBL8844566;DTXSID10434519;BRPXEPFCSRKAGN-SFYZADRCSA-N;(7R,9aS)-Methyl1-oxooctahydro-1H-pyrido[1,2-a]pyrazine-7-carboxylate;MFCD03839862;CS-0446655

Chemical Property of cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester

Chemical Property:

• Vapor Pressure: 4.72E-06mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 382.4°C at 760 mmHg
• Flash Point: 185.1°C
• PSA: 58.64000
• Density: 1.23g/cm³
• LogP: -0.36350
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 212.11609238
• Heavy Atom Count: 15
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

(7R,9aS)-Methyl1-oxooctahydro-1H-pyrido[1,2-a]pyrazine-7-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC2C(=O)NCCN2C1
• Isomeric SMILES: COC(=O)[C@@H]1CC[C@H]2C(=O)NCCN2C1

Technology Process of cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester

There total 3 articles about cis-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

dimethyl trans-1-(2-(phthalimido)ethyl)piperidine-2,5-dicarboxylate (144660-61-7,145011-61-6) → methyl trans-1-oxo-1,3,4,6,7,8,9,9a-octahydro-2H-pyrido<1,2-a>pyrazine-7-carboxylate (145033-25-6)

Guidance literature:

With hydrazine hydrate; In methanol; Ambient temperature;

Reference yield: 47.0%

→ Methyl cis-1-Oxo-2,3,4,6,7,8,9,9a-octahydro-1H-Pyrido[1,2-a]pyrazine-7-carboxylate (145033-25-6)

Guidance literature:

Reference yield:

(2R,5R)-1-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-piperidine-2,5-dicarboxylic acid dimethyl ester (145011-61-6) → (7R,9aR)-1-Oxo-octahydro-pyrido[1,2-a]pyrazine-7-carboxylic acid methyl ester (145033-25-6)

Guidance literature:

With hydrazine hydrate; In methanol; Yield given;

DOI:10.1016/0957-4166(95)00003-8

upstream raw materials:

(2R,5R)-1-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-piperidine-2,5-dicarboxylic acid dimethyl ester

dimethyl trans-1-(2-(phthalimido)ethyl)piperidine-2,5-dicarboxylate

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