4,5-Dihydro-8-fluoro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole

Base Information

Chemical Name:4,5-Dihydro-8-fluoro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole
CAS No.:76099-13-3
Molecular Formula:C₁₇H₁₃FN₂O₂
Molecular Weight:296.301
Hs Code.:
DSSTox Substance ID:DTXSID10997437

Synonyms:BRN 5605071;1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-8-fluoro-1-phenyl-;4,5-Dihydro-8-fluoro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole;76099-13-3;DTXSID10997437;LS-64115;8-Fluoro-1-phenyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazole

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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 4,5-Dihydro-8-fluoro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole

Chemical Property:

Vapor Pressure:3.5E-10mmHg at 25°C
Boiling Point:514.4°Cat760mmHg
Flash Point:264.9°C
Density:1.47g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:296.09610582
Heavy Atom Count:22
Complexity:444

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2COC(O2)(C3=NC4=C(N31)C=C(C=C4)F)C5=CC=CC=C5

Technology Process of 4,5-Dihydro-8-fluoro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole

There total 7 articles about 4,5-Dihydro-8-fluoro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole 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:

: 446-35-5
2,4-Difluoronitrobenzene

: 76099-13-3
8-fluoro-4,5-dihydro-1-phenyl-1,4-epoxy-1H,3H-<1,4> oxazepino <4,3-a> benzimidazole

Guidance literature:: Multi-step reaction with 6 steps

1: 63 percent / triethylamine / ethanol / 6 h / Heating

2: H₂ / Pd/C / ethanol

3: ethanol / 24 h / Ambient temperature

4: MnO₂ / acetone / 0.33 h / Ambient temperature

5: aq. HCl; acetone / 0.33 h

6: para-toluenesulfonic acid / toluene / Heating

With manganese(IV) oxide; hydrogen; triethylamine; palladium on activated charcoal; toluene-4-sulfonic acid; In hydrogenchloride; ethanol; acetone; toluene;

Reference yield:

: N²-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-4-fluoro-benzene-1,2-diamine

: 76099-13-3
8-fluoro-4,5-dihydro-1-phenyl-1,4-epoxy-1H,3H-<1,4> oxazepino <4,3-a> benzimidazole

Guidance literature:: Multi-step reaction with 4 steps

1: ethanol / 24 h / Ambient temperature

2: MnO₂ / acetone / 0.33 h / Ambient temperature

3: aq. HCl; acetone / 0.33 h

4: para-toluenesulfonic acid / toluene / Heating

With manganese(IV) oxide; toluene-4-sulfonic acid; In hydrogenchloride; ethanol; acetone; toluene;

Reference yield:

: 76099-42-8
(2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-(5-fluoro-2-nitro-phenyl)-amine

: 76099-13-3
8-fluoro-4,5-dihydro-1-phenyl-1,4-epoxy-1H,3H-<1,4> oxazepino <4,3-a> benzimidazole

Guidance literature:: Multi-step reaction with 5 steps

1: H₂ / Pd/C / ethanol

2: ethanol / 24 h / Ambient temperature

3: MnO₂ / acetone / 0.33 h / Ambient temperature

4: aq. HCl; acetone / 0.33 h

5: para-toluenesulfonic acid / toluene / Heating

With manganese(IV) oxide; hydrogen; palladium on activated charcoal; toluene-4-sulfonic acid; In hydrogenchloride; ethanol; acetone; toluene;