6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide

Base Information

Chemical Name:6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide
CAS No.:43093-01-2
Molecular Formula:C₁₈H₁₂N₂O₄S
Molecular Weight:352.37
Hs Code.:
NSC Number:180545
DSSTox Substance ID:DTXSID60306833
Nikkaji Number:J395.052B
Mol file:43093-01-2.mol

Synonyms:43093-01-2;6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide;NSC180545;DTXSID60306833;NSC-180545;Pyrrolo[2,5]benzothiazepine, 6-(4-nitrophenyl)-, 5,5-dioxide

Suppliers and Price of 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Biorbyt Ltd
NF2
10 μg
$ 290.70

Biorbyt Ltd
NF2
10 μg
$ 290.70

Total 7 raw suppliers

Chemical Property of 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide

Chemical Property:

Vapor Pressure:7.93E-15mmHg at 25°C
Boiling Point:624.2°C at 760 mmHg
Flash Point:331.3°C
PSA：93.27000
Density:1.43g/cm³
LogP:5.27490
Storage Temp.:-20°C
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:352.05177804
Heavy Atom Count:25
Complexity:656

Purity/Quality:

99%, ^*data from raw suppliers

NF2 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N3C=CC=C3C=C(S2(=O)=O)C4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide

There total 3 articles about 6-(4-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide 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:

: 43132-53-2
dimethyl-[6-(4-nitro-phenyl)-5,5-dioxo-6,7-dihydro-5H-5λ⁶-benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl]-amine

: 43093-01-2
6-(4-nitro-phenyl)-benzo[b]pyrrolo[1,2-d][1,4]thiazepine 5,5-dioxide

Guidance literature:: at 210 - 215 ℃; under 0.05 Torr;

Reference yield:

: 43092-97-3
1-{2-[(4-nitro-phenyl)-methanesulfonyl]-phenyl}-pyrrole

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 43093-01-2
6-(4-nitro-phenyl)-benzo[b]pyrrolo[1,2-d][1,4]thiazepine 5,5-dioxide

: 43132-53-2
dimethyl-[6-(4-nitro-phenyl)-5,5-dioxo-6,7-dihydro-5H-5λ⁶-benzo[b]pyrrolo[1,2-d][1,4]thiazepin-7-yl]-amine

Guidance literature:: With trichlorophosphate; at 70 ℃; for 0.583333h;

Reference yield:

: 43092-97-3
1-{2-[(4-nitro-phenyl)-methanesulfonyl]-phenyl}-pyrrole

: 43093-01-2
6-(4-nitro-phenyl)-benzo[b]pyrrolo[1,2-d][1,4]thiazepine 5,5-dioxide

Guidance literature:: Multi-step reaction with 2 steps

1: POCl₃ / 0.58 h / 70 °C

2: 210 - 215 °C / 0.05 Torr

With trichlorophosphate;