Octahydro-1h-pyrido[1,2-a]pyrazine

Base Information

• Chemical Name: Octahydro-1h-pyrido[1,2-a]pyrazine
• CAS No.: 4430-75-5
• Molecular Formula: C8H16N2
• Molecular Weight: 140.228
• Hs Code.: 2933990090
• European Community (EC) Number: 692-685-3
• DSSTox Substance ID: DTXSID10386908
• Pharos Ligand ID: TPLXQAS7GTKX
• ChEMBL ID: CHEMBL98511
• Mol file: 4430-75-5.mol

Synonyms:4430-75-5;octahydro-1h-pyrido[1,2-a]pyrazine;Octahydro-2H-pyrido[1,2-a]pyrazine;Octahydro-pyrido[1,2-a]pyrazine;(+/-)-1,4-Diazabicyclo[4.4.0]decane;2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;CHEMBL98511;Octahydropyrido[1,2-a]pyrazine;MFCD01098257;150208-67-6;octahydro-1H-pyrido[1,2-a]piperazine;SCHEMBL65291;(+/-)-1,4-diazabicyclo[;octahydropyrido[1,2-a]-pyrazine;DTXSID10386908;ONHPOXROAPYCGT-UHFFFAOYSA-N;1,4-diazabicyclo[4,4,0]decane;Octahydropyrido-[1,2-a]-pyrazine;CS-D0696;BDBM50130267;AKOS004114737;AKOS016340746;PS-3855;SB34388;SB34389;SB37207;2h-pyrido[1,2-a]pyrazine, octahydro-;octahydro-1H-pyrido[1,2-alpha]pyrazine;SY014150;AM20100147;BB 0216362;FT-0647738;(9aRS)-octahydro-2H-pyrido[1,2-a]pyrazine;EN300-57844;AB01003226-01;A826539;J-503976;1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]pyrazin-5-ium

Chemical Property of Octahydro-1h-pyrido[1,2-a]pyrazine

Chemical Property:

• Vapor Pressure: 0.129mmHg at 25°C
• Refractive Index: 1.526
• Boiling Point: 218.036 °C at 760 mmHg
• PKA: 9.80±0.20(Predicted)
• Flash Point: 93.708 °C
• PSA: 15.27000
• Density: 1.01 g/cm³
• LogP: 0.71080
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.131348519
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99%, ^*data from raw suppliers

(+/-)-1,4-Diazabicyclo[4.4.0]decane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN2CCNCC2C1

Technology Process of Octahydro-1h-pyrido[1,2-a]pyrazine

There total 14 articles about Octahydro-1h-pyrido[1,2-a]pyrazine 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: 60.0%

benzyl hexahydro-1H-pyrido[1,2-a]pyrazine-2(6H)-carboxylate (1049651-61-7) → octahydro-1H-pyrido[1,2-a]pyrazine (4430-75-5,96606-12-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 4h;

Reference yield: 50.7%

→ octahydro-1H-pyrido[1,2-a]pyrazine (4430-75-5,96606-12-1)

Guidance literature:

Reference yield:

C-piperidin-2-yl-methylamine (22990-77-8,111478-74-1,111478-77-4) + Glyoxal (131543-46-9,107-22-2) → octahydro-1H-pyrido[1,2-a]pyrazine (4430-75-5,96606-12-1)

Guidance literature:

With glucose-6-phosphate dehydrogenase; glucose-6-phosphate; Myxococcus stipitatus R-selective imine reductase; NADPH; magnesium chloride; In aq. phosphate buffer; at 25 ℃; for 4h; pH=7; Enzymatic reaction;

DOI:10.1021/acscatal.8b00291

upstream raw materials:

1-(2-chloro-ethyl)-2-chloromethyl-pyrrolidine

3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione

2H-octahydropyrido<1,2-a>pyrazin-1-one

1-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-piperidine-2-carboxylic acid ethyl ester

Downstream raw materials:

10-[3-(octahydro-pyrido[1,2-a]pyrazin-2-yl)-propyl]-10H-phenothiazine

4-(β-phenyl-β-hydroxyethyl)-1,4-diazabicyclo<4.4.0>decane

4-ethyl-1,4-diazabicyclo<4.4.0>decane

2-(3,4-Dichloro-phenyl)-1-(octahydro-pyrido[1,2-a]pyrazin-2-yl)-ethanone

Refernces

• 1、 -. "NOVEL COMPOUNDS". Page/Page column 122. . Retrieved 2008/12/06.
• 2、 H?glund, Iisa P. J.,Silver, Satu,Engstr?m, Mia T.,Salo, Harri,Tauber, Andrei,Kyyr?nen, Hanna-Kaisa,Saarenketo, Pauli,Hoffrén, Anna-Marja,Kokko, Kurt,Pohjanoksa, Katariina,Sallinen, Jukka,Savola, Juha-Matti,Wurster, Siegfried,Kallatsa, Oili A.. "Structure-activity relationship of quinoline derivatives as potent and selective α2c-adrenoceptor antagonists". . p. 6351 - 6363. Retrieved 2007/10/03.