1,2,3,4-Tetrahydropyrido[3,4-b]pyrazine

Base Information

• Chemical Name: 1,2,3,4-Tetrahydropyrido[3,4-b]pyrazine
• CAS No.: 35808-41-4
• Molecular Formula: C₇H₉N₃
• Molecular Weight: 135.169
• Hs Code.: 2933990090
• European Community (EC) Number: 872-870-7
• DSSTox Substance ID: DTXSID00591044
• Nikkaji Number: J2.432.870H
• Wikidata: Q82484693
• Mol file: 35808-41-4.mol

Synonyms:1,2,3,4-Tetrahydropyrido[3,4-b]pyrazine;35808-41-4;1H,2H,3H,4H-pyrido[3,4-b]pyrazine;SCHEMBL1966927;DTXSID00591044;BCLNCKWTUZQTHS-UHFFFAOYSA-N;MFCD13193470;AKOS006358235;AB89744;CCG-322766;DB-086932;1,2,3,4-tetrahydro-pyrido[3,4-b]pyrazine;CS-0307954;EN300-102281;J-503769;Z1203732990

Chemical Property of 1,2,3,4-Tetrahydropyrido[3,4-b]pyrazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 318.508oC at 760 mmHg
• Flash Point: 146.429oC
• PSA: 36.95000
• Density: 1.112g/cm3
• LogP: 1.19500
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.079647300
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4-Tetrahydropyrido[3,4-B]pyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=C(N1)C=CN=C2
• Uses: 1,2,3,4-Tetrahydropyrido[3,4-b]pyrazine is used in a study of aminopyridines and their pharmacokinetics, side effects, and antidote effect on botulinum neurotoxin intoxication. It is also used in a continuous flow strategy for preparation and elaboration of semi-saturated heterobicyclic fragments for fragment-?based drug discovery (FBDD) programs.

Technology Process of 1,2,3,4-Tetrahydropyrido[3,4-b]pyrazine

There total 4 articles about 1,2,3,4-Tetrahydropyrido[3,4-b]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: 99.0%

pyrido[3,4-b]pyrazine (254-86-4) → 1,2,3,4-tetrahydropyrido[3,4-b]pyrazine (35808-41-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; water; at 25 ℃; under 11251.1 Torr; Pressure; Catalytic behavior; Flow reactor;

DOI:10.1002/ejoc.201801684

Reference yield: 78.0%

3,4-diaminopyridine (54-96-6) + ethylene glycol (107-21-1) → 1,2,3,4-tetrahydropyrido[3,4-b]pyrazine (35808-41-4)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; potassium tert-butylate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tert-Amyl alcohol; at 130 ℃; for 10h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1039/c6cc05329g

Reference yield:

3,4-diaminopyridine (54-96-6) → 1,2,3,4-tetrahydropyrido[3,4-b]pyrazine (35808-41-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / ethanol; H₂O / 10 h / Heating

2: 68 percent / sodium borohydride; trifluoroacetic acid / tetrahydrofuran / 1 h

With sodium tetrahydroborate; trifluoroacetic acid; In tetrahydrofuran; ethanol; water;

DOI:10.1021/ol062712l

upstream raw materials:

pyrido[3,4-b]pyrazine

3,4-diaminopyridine

ethylene glycol

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