4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(4-nitrophenyl)-

Base Information

• Chemical Name: 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(4-nitrophenyl)-
• CAS No.: 137052-88-1
• Molecular Formula: C₁₉H₁₇N₃O₂S
• Molecular Weight: 351.429
• DSSTox Substance ID: DTXSID00929686
• Nikkaji Number: J629.280A

Synonyms:137052-88-1;4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(4-nitrophenyl)-;DTXSID00929686;LS-58268;5,6-Dihydro-6-(4-nitrophenyl)-2,3-propano-4H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepine;4-(4-Nitrophenyl)-5,6,8,9-tetrahydro-4H,7H-cyclopenta[4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine

Chemical Property of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(4-nitrophenyl)-

Chemical Property:

• Vapor Pressure: 8.44E-13mmHg at 25°C
• Boiling Point: 565.3°C at 760 mmHg
• Flash Point: 295.7°C
• Density: 1.52g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 351.10414797
• Heavy Atom Count: 25
• Complexity: 519

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C1)SC3=C2CNC(C4=CC=CN43)C5=CC=C(C=C5)[N+](=O)[O-]

Technology Process of 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(4-nitrophenyl)-

There total 6 articles about 4H,7H-Cyclopenta(4,5)thieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,8,9-tetrahydro-4-(4-nitrophenyl)- 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: 72.0%

1-<2-(3-p-nitro-benzylideneaminomethyl)-5,6-dihydro-4H-cyclopentathienyl>pyrrole (165820-26-8) → C19H17N3O2S (137052-88-1)

Guidance literature:

With hydrogenchloride; sodium hydroxide; ethanol; water; for 0.75h; Heating;

Reference yield:

2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile (70291-62-2) → C19H17N3O2S (137052-88-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 77 percent / glacial acetic acid / 0.5 h / Heating

2: 91 percent / LiAlH₄ / diethyl ether / 24 h / Heating

3: 91 percent / ethanol / 0.25 h / Heating

4: 72 percent / 1.) saturated HCl/EtOH, 2.) dil. NaOH/H₂O / 0.75 h / Heating

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; ethanol; water; acetic acid; In diethyl ether; ethanol;

Reference yield:

1-<2-(5,6-dihydro-4H-cyclopentathienyl)-3-carbonitrile>pyrrole (165820-24-6) → C19H17N3O2S (137052-88-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 91 percent / LiAlH₄ / diethyl ether / 24 h / Heating

2: 91 percent / ethanol / 0.25 h / Heating

3: 72 percent / 1.) saturated HCl/EtOH, 2.) dil. NaOH/H₂O / 0.75 h / Heating

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; ethanol; water; In diethyl ether; ethanol;

upstream raw materials:

1-<2-(3-p-nitro-benzylideneaminomethyl)-5,6-dihydro-4H-cyclopentathienyl>pyrrole

8,9-dihydro-4-p-nitrophenyl-6H,7H-pyrrolo<1,2-a>cyclopentathieno<3,2-f><1,4>diazepine

2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

1-<2-(5,6-dihydro-4H-cyclopentathienyl)-3-carbonitrile>pyrrole

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