5H-Pyrrolo[2,3-b]pyrazine-7-carbaldehyde

Base Information

• Chemical Name: 5H-Pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• CAS No.: 4121-22-6
• Molecular Formula: C7H5 N3 O
• Molecular Weight: 147.136
• Hs Code.: 2933990090
• NSC Number: 186053
• UNII: L6MS2AXZ4H
• DSSTox Substance ID: DTXSID80194133
• Wikidata: Q83066888
• Mol file: 4121-22-6.mol

Synonyms:5H-Pyrrolo[2,3-b]pyrazine-7-carbaldehyde;4121-22-6;5H-Pyrrolo[2,3-b]pyrazine-7-carboxaldehyde;5H-Pyrrolo(2,3-b)pyrazine-7-carbaldehyde;NSC186053;L6MS2AXZ4H;MFCD10697810;NSC 186053;NSC-186053;5H-PYRROLO(2,3-B)PYRAZINE-7-CARBOXALDEHYDE;5H-Pyrrolo[2,3-b]pyrazine-7-carboxaldehyde (7CI,8CI,9CI);UNII-L6MS2AXZ4H;SCHEMBL1696892;SCHEMBL1696894;AMY5406;DTXSID80194133;FZSSHQHTQKYNQL-UHFFFAOYSA-N;AKOS006305573;PB29790;DS-14083;5H-pyrrolo[5,4-b]pyrazine-7-carbaldehyde;CS-0050466;EN300-104126;Z1198277987

Chemical Property of 5H-Pyrrolo[2,3-b]pyrazine-7-carbaldehyde

Chemical Property:

• PSA: 58.64000
• Density: 1.471g/cm³
• LogP: 0.77040
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 147.043261791
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

5H-Pyrrolo[2,3-b]pyrazine-7-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN=C2C(=N1)C(=CN2)C=O

Technology Process of 5H-Pyrrolo[2,3-b]pyrazine-7-carbaldehyde

There total 2 articles about 5H-Pyrrolo[2,3-b]pyrazine-7-carbaldehyde 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:

hexamethylenetetramine (100-97-0) + pyrrolo<2,3-b>pyrazine (4745-93-1) → 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde (4121-22-6)

Guidance literature:

With acetic acid; for 2h; Reflux;

DOI:10.1016/j.bmc.2020.115836

Reference yield:

→ 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde (4121-22-6)

Guidance literature:

2-Amino-3-methylpyrazin, Dimethylformamid/POCl3;

Reference yield:

5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde (4121-22-6) + 1-bromomethyl-3-methoxybenzene (874-98-6) → 5-(3-methoxybenzyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde (1097839-94-5)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 15h;

upstream raw materials:

hexamethylenetetramine

pyrrolo<2,3-b>pyrazine

Downstream raw materials:

5-(3-methoxybenzyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde

Refernces