4,5-Dihydro-1-ethyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole

Base Information

Chemical Name:4,5-Dihydro-1-ethyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole
CAS No.:76098-97-0
Molecular Formula:C₁₃H₁₄N₂O₂
Molecular Weight:230.266
Hs Code.:
DSSTox Substance ID:DTXSID60997422
Mol file:76098-97-0.mol

Synonyms:BRN 5558142;76098-97-0;4,5-Dihydro-1-ethyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole;1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-ethyl-;DTXSID60997422;LS-64111;1-Ethyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazole

Suppliers and Price of 4,5-Dihydro-1-ethyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole

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

American Custom Chemicals Corporation
1,4-EPOXY-1H,3H-(1,4)OXAZEPINO(4,3-A)BENZIMIDAZOLE, 4,5-DIHYDRO-1-ETHY L- 95.00%
5MG
$ 500.90

Total 3 raw suppliers

Chemical Property of 4,5-Dihydro-1-ethyl-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole

Chemical Property:

Vapor Pressure:4.82E-07mmHg at 25°C
Boiling Point:425.2°C at 760 mmHg
Flash Point:211°C
PSA：36.28000
Density:1.43g/cm³
LogP:2.02810
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:230.105527694
Heavy Atom Count:17
Complexity:325

Purity/Quality:

99% ^*data from raw suppliers

1,4-EPOXY-1H,3H-(1,4)OXAZEPINO(4,3-A)BENZIMIDAZOLE, 4,5-DIHYDRO-1-ETHY L- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC12C3=NC4=CC=CC=C4N3CC(O1)CO2

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

There total 5 articles about 4,5-Dihydro-1-ethyl-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: 42.0%

: 1-[1-(2,3-Dihydroxy-propyl)-1H-benzoimidazol-2-yl]-propan-1-one

: 76098-97-0
C₁₃H₁₄N₂O₂

Guidance literature:: toluene-4-sulfonic acid; In toluene; for 0.333333h; Heating;

Reference yield:

: 4857-00-5
2-(α-hydroxypropyl) benzimidazole

: 76098-97-0
C₁₃H₁₄N₂O₂

Guidance literature:: Multi-step reaction with 4 steps

1: 48 percent / MnO₂

2: 1.) sodium hydride / 1.) rt, 30 min, DMF; 2.) 120 deg C, 6 days

3: aq. HCl; dioxane / 1.5 h / Ambient temperature

4: 42 percent / para-toluenesulfonic acid / toluene / 0.33 h / Heating

With manganese(IV) oxide; sodium hydride; toluene-4-sulfonic acid; In 1,4-dioxane; hydrogenchloride; toluene;

Reference yield:

: 74126-96-8
2-propionylbenzimidazole

: 76098-97-0
C₁₃H₁₄N₂O₂

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) sodium hydride / 1.) rt, 30 min, DMF; 2.) 120 deg C, 6 days

2: aq. HCl; dioxane / 1.5 h / Ambient temperature

3: 42 percent / para-toluenesulfonic acid / toluene / 0.33 h / Heating

With sodium hydride; toluene-4-sulfonic acid; In 1,4-dioxane; hydrogenchloride; toluene;