3,4-dihydro-2H-1,4-benzoxazepine-5-thione

Base Information

Chemical Name:3,4-dihydro-2H-1,4-benzoxazepine-5-thione
CAS No.:21228-44-4
Molecular Formula:C₉H₉NOS
Molecular Weight:179.243
Hs Code.:
DSSTox Substance ID:DTXSID90401709
NSC Number:371486
Mol file:21228-44-4.mol

Synonyms:MLS003171276;21228-44-4;NSC371486;DTXSID90401709;NSC-371486;SMR001875180

Suppliers and Price of 3,4-dihydro-2H-1,4-benzoxazepine-5-thione

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

Total 2 raw suppliers

Chemical Property of 3,4-dihydro-2H-1,4-benzoxazepine-5-thione

Chemical Property:

Vapor Pressure:0.00143mmHg at 25°C
Boiling Point:296.4°Cat760mmHg
Flash Point:133.1°C
Density:1.28g/cm³
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:179.04048508
Heavy Atom Count:12
Complexity:183

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COC2=CC=CC=C2C(=S)N1

Technology Process of 3,4-dihydro-2H-1,4-benzoxazepine-5-thione

There total 2 articles about 3,4-dihydro-2H-1,4-benzoxazepine-5-thione 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:

: 703-51-5
2,3-dihydro-1,4-benzoxazepin-5(4H)-one

: 21228-44-4
3,4-dihydro-2H-benzo[f][1,4]oxazepine-5-thione

Guidance literature:: With tetraphosphorus decasulfide; In pyridine; for 2h; Heating;
DOI:10.1021/jm00283a011

Reference yield:

: 21228-44-4
3,4-dihydro-2H-benzo[f][1,4]oxazepine-5-thione

Guidance literature:: Entspr. 5-Oxoverb IVa, P2S5;

Reference yield:

: 21228-44-4
3,4-dihydro-2H-benzo[f][1,4]oxazepine-5-thione

: 30558-92-0
benzyl-(2,3-dihydro-benzo[f][1,4]oxazepin-5-yl)-amine; hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: (i) aq. NaOH, DMSO, (ii) /BRN= 635994/

2: ethanol / 48 h / 135 °C

In ethanol;
DOI:10.1021/jm00283a011