4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole

Base Information

Chemical Name:4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole
CAS No.:76099-30-4
Molecular Formula:C17H14 N2 O S
Molecular Weight:0
Hs Code.:2934999090
DSSTox Substance ID:DTXSID70997453
Mol file:76099-30-4.mol

Synonyms:BRN 5590092;76099-30-4;4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole;1,4-Epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole, 4,5-dihydro-1-phenyl-;DTXSID70997453;LS-64255;1-Phenyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]thiazepino[4,3-a]benzimidazole

Suppliers and Price of 4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)thiazepino(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)THIAZEPINO(4,3-A)BENZIMIDAZOLE, 4,5-DIHYDRO-1-PHE NYL- 95.00%
5MG
$ 505.25

Total 3 raw suppliers

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

Chemical Property:

Vapor Pressure:1.2E-11mmHg at 25°C
Boiling Point:551.5°C at 760 mmHg
Flash Point:287.3°C
PSA：52.35000
Density:1.43g/cm³
LogP:3.38300
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:294.08268425
Heavy Atom Count:21
Complexity:414

Purity/Quality:

99% ^*data from raw suppliers

1,4-EPOXY-1H,3H-(1,4)THIAZEPINO(4,3-A)BENZIMIDAZOLE, 4,5-DIHYDRO-1-PHE NYL- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CSC(O2)(C3=NC4=CC=CC=C4N31)C5=CC=CC=C5

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

There total 2 articles about 4,5-Dihydro-1-phenyl-1,4-epoxy-1H,3H-(1,4)thiazepino(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: 53.5%

: [1-(2,2-Dimethyl-[1,3]oxathiolan-5-ylmethyl)-1H-benzoimidazol-2-yl]-phenyl-methanone

: 76099-30-4
4,5-dihydro-1-phenyl-1,4-epoxy-1H,3H-<1,4> thiazepino <4,3-a> benzimidazole

Guidance literature:: In hydrogenchloride; at 80 ℃; for 24h;

Reference yield:

: 955-41-9
2-benzoyl-1H-benzimidazole

: 76099-30-4
4,5-dihydro-1-phenyl-1,4-epoxy-1H,3H-<1,4> thiazepino <4,3-a> benzimidazole

Guidance literature:: Multi-step reaction with 2 steps

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

2: 53.5 percent / aq. HCl / 24 h / 80 °C

With sodium hydride; In hydrogenchloride;