7H-Pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepin-7-one

Base Information

• Chemical Name: 7H-Pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepin-7-one
• CAS No.: 118386-62-2
• Molecular Formula: C₁₀H₆N₄O
• Molecular Weight: 198.184
• DSSTox Substance ID: DTXSID20556872
• Mol file: 118386-62-2.mol

Synonyms:118386-62-2;7H-Pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepin-7-one;2,8,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,8,11,13-hexaen-7-one;7H-Pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepin-7-one(9CI);DTXSID20556872

Chemical Property of 7H-Pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepin-7-one

Chemical Property:

• Melting Point: 128 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 426.8±55.0 °C(Predicted)
• PKA: -5.88±0.20(Predicted)
• PSA: 60.15000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: 0.63770
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 198.05416083
• Heavy Atom Count: 15
• Complexity: 304

Purity/Quality:

7H-Pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepin-7-one 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(N=C1)N=NC(=O)C3=CC=CN23

Technology Process of 7H-Pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepin-7-one

There total 4 articles about 7H-Pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepin-7-one 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: 71.0%

4H-dihydro-5,6-pyrido<2,3-c>pyrrolo<1,2-e>triazepinone-4 1,2,5 (118386-61-1) → 4H-pyrido<2,3-c>pyrrolo<1,2-e>triazepinone-4 1,2,5 (118386-62-2)

Guidance literature:

With potassium permanganate; In acetone; for 5h; Ambient temperature;

Reference yield:

(chloro-2-pyridyl-3)-1-pyrrolyl-2 carboxaldehyde (97580-57-9) → 4H-pyrido<2,3-c>pyrrolo<1,2-e>triazepinone-4 1,2,5 (118386-62-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 90 percent / KMnO₄ / acetone / 8 h / Heating

2: 88 percent / methanol / 2 h / 0 °C

3: 75 percent / hydrazine hydrate / 2 h / 80 °C

4: 71 percent / KMnO₄ / acetone / 5 h / Ambient temperature

With potassium permanganate; hydrazine hydrate; In methanol; acetone;

Reference yield:

acide (chloro-2-pyridyl-3)-1-pyrrolyl Carboxylique-2 (104149-45-3) → 4H-pyrido<2,3-c>pyrrolo<1,2-e>triazepinone-4 1,2,5 (118386-62-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 percent / methanol / 2 h / 0 °C

2: 75 percent / hydrazine hydrate / 2 h / 80 °C

3: 71 percent / KMnO₄ / acetone / 5 h / Ambient temperature

With potassium permanganate; hydrazine hydrate; In methanol; acetone;

upstream raw materials:

4H-dihydro-5,6-pyrido<2,3-c>pyrrolo<1,2-e>triazepinone-4 1,2,5

(chloro-2-pyridyl-3)-1-pyrrolyl-2 carboxaldehyde

acide (chloro-2-pyridyl-3)-1-pyrrolyl Carboxylique-2

carboxmethoxy-2-(chloro-2-pyridyl-3)-1-pyrrole