4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol

Base Information

Chemical Name:4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol
CAS No.:76099-24-6
Molecular Formula:C17H14N2O3
Molecular Weight:294.3047
Hs Code.:
DSSTox Substance ID:DTXSID20997448

Synonyms:BRN 5111179;4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol;1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol, 4,5-dihydro-1-phenyl-;76099-24-6;DTXSID20997448;LS-64134;1-Phenyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazol-9-ol

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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-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol

Chemical Property:

Vapor Pressure:9.18E-14mmHg at 25°C
Boiling Point:573.7°Cat760mmHg
Flash Point:300.8°C
Density:1.51g/cm³
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:294.10044231
Heavy Atom Count:22
Complexity:442

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol

There total 8 articles about 4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazol-9-ol 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: 48.0%

: 89521-61-9
C₂₄H₂₀N₂O₃

: 76099-24-6
9-hydroxy-4,5-dihydro-1-phenyl-1,4-epoxy-1H,3H-<1,4>oxazepino<4,3-a>benzimidazole

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; Ambient temperature;
DOI:10.1002/jhet.5570200618

Reference yield:

: 89521-63-1
N¹-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-4-nitro-benzene-1,2-diamine

: 76099-24-6
9-hydroxy-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: methanol / 15 h / Ambient temperature

2: MnO₂ / CHCl₃ / 0.5 h / Heating

3: 2H hydrochloric acid / 2.5 h / 60 °C

4: H₂ / 10percent Pd on charcoal / Ambient temperature

5: 1. 3N sulfuric acid, sodium nitrite; 2. cuprous oxide / 1. water, 0 degC; 2. r.t.

With copper(I) oxide; hydrogenchloride; manganese(IV) oxide; sulfuric acid; hydrogen; sodium nitrite; palladium on activated charcoal; In methanol; chloroform;
DOI:10.1002/jhet.5570200618

Reference yield:

: 89521-62-0
(2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-(2,4-dinitro-phenyl)-amine

: 76099-24-6
9-hydroxy-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: sodium sulfide, sodium hydrogenocarbonate / methanol; H₂O / 0.25 h / 60 °C

2: methanol / 15 h / Ambient temperature

3: MnO₂ / CHCl₃ / 0.5 h / Heating

4: 2H hydrochloric acid / 2.5 h / 60 °C

5: H₂ / 10percent Pd on charcoal / Ambient temperature

6: 1. 3N sulfuric acid, sodium nitrite; 2. cuprous oxide / 1. water, 0 degC; 2. r.t.

With copper(I) oxide; hydrogenchloride; manganese(IV) oxide; sodium sulfide; sulfuric acid; hydrogen; sodium hydrogencarbonate; sodium nitrite; palladium on activated charcoal; In methanol; chloroform; water;
DOI:10.1002/jhet.5570200618