5,6-Dihydro-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine

Base Information

Chemical Name:5,6-Dihydro-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine
CAS No.:136364-78-8
Molecular Formula:C16H13N3O2S
Molecular Weight:311.3583
Hs Code.:
DSSTox Substance ID:DTXSID00929343
Nikkaji Number:J423.261E

Synonyms:BRN 4846043;4H-Pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine, 5,6-dihydro-6-(4-nitrophenyl)-;5,6-Dihydro-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine;136364-78-8;6-(4-Nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a]thieno[2,3-f][1,4]diazepine;DTXSID00929343;LS-139749

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5,6-Dihydro-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine

Chemical Property:

Vapor Pressure:8.26E-11mmHg at 25°C
Boiling Point:517.4°Cat760mmHg
Flash Point:266.7°C
Density:1.47g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:311.07284784
Heavy Atom Count:22
Complexity:422

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(C=CS2)N3C=CC=C3C(N1)C4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of 5,6-Dihydro-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine

There total 5 articles about 5,6-Dihydro-6-(4-nitrophenyl)-4H-pyrrolo(1,2-a)thieno(2,3-f)(1,4)diazepine 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: 79.0%

: 136334-24-2
4-p-Nitrophenyl-6H-pyrrolo<1,2-a>thieno<2,3-f><1,4>diazepine

: 136364-78-8
6-(4-Nitro-phenyl)-5,6-dihydro-4H-3-thia-5,9a-diaza-cyclopenta[e]azulene

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 10h; Heating;
DOI:10.1002/jhet.5570280418

Reference yield:

: 56489-05-5
3-aminothiophene-2-carbonitrile

: 136364-78-8
6-(4-Nitro-phenyl)-5,6-dihydro-4H-3-thia-5,9a-diaza-cyclopenta[e]azulene

Guidance literature:: Multi-step reaction with 5 steps

1: 89 percent / glacial acetic acid / 0.5 h / Heating

2: 84 percent / lithium aluminum hydride / diethyl ether / 8 h / Heating

3: 74 percent / triethylamine / CH₂Cl₂ / 1 h / Ambient temperature

4: 22 percent / phosphorus oxychloride / 2 h / Heating

5: 79 percent / lithium aluminium hydride / tetrahydrofuran / 10 h / Heating

With lithium aluminium tetrahydride; acetic acid; triethylamine; trichlorophosphate; In tetrahydrofuran; diethyl ether; dichloromethane;
DOI:10.1002/jhet.5570280418

Reference yield:

: 107073-30-3
1-<3-(Thienyl-2-carbonitrile)>pyrrole

: 136364-78-8
6-(4-Nitro-phenyl)-5,6-dihydro-4H-3-thia-5,9a-diaza-cyclopenta[e]azulene

Guidance literature:: Multi-step reaction with 4 steps

1: 84 percent / lithium aluminum hydride / diethyl ether / 8 h / Heating

2: 74 percent / triethylamine / CH₂Cl₂ / 1 h / Ambient temperature

3: 22 percent / phosphorus oxychloride / 2 h / Heating

4: 79 percent / lithium aluminium hydride / tetrahydrofuran / 10 h / Heating

With lithium aluminium tetrahydride; triethylamine; trichlorophosphate; In tetrahydrofuran; diethyl ether; dichloromethane;
DOI:10.1002/jhet.5570280418