Pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5-amine

Base Information

• Chemical Name: Pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5-amine
• CAS No.: 111886-59-0
• Molecular Formula: C₉H₇N₃S
• Molecular Weight: 189.241
• DSSTox Substance ID: DTXSID30549679
• Wikidata: Q82428799
• Mol file: 111886-59-0.mol

Synonyms:Pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5-amine;111886-59-0;Pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5-amine (9CI);5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-8-amine;DTXSID30549679

Chemical Property of Pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5-amine

Chemical Property:

• Melting Point: 230 °C(Solv: ethanol (64-17-5))
• Boiling Point: 343.2±42.0 °C(Predicted)
• PKA: 2.19±0.30(Predicted)
• PSA: 71.56000
• Density: 1.59±0.1 g/cm3(Predicted)
• LogP: 2.71240
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 189.03606841
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

Pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5-amine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C3=C(N=C(C2=C1)N)SC=C3

Technology Process of Pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5-amine

There total 2 articles about Pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5-amine 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: 58.0%

N-(pyrrolyl-1)-3 thienyl-2 uree (111886-47-6) → Pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5-ylamine (111886-59-0)

Guidance literature:

With trichlorophosphate; for 2h; Heating;

Reference yield:

azoture de (pyrrolyl-1)-3 thenoyle-2 (74772-18-2) → Pyrrolo[1,2-a]thieno[2,3-e]pyrazin-5-ylamine (111886-59-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 46 percent / 20percent aq.NH₃ / 2 h / Heating

2: 58 percent / POCl₃ / 2 h / Heating

With ammonium hydroxide; trichlorophosphate;

upstream raw materials:

N-(pyrrolyl-1)-3 thienyl-2 uree

azoture de (pyrrolyl-1)-3 thenoyle-2

Refernces