Pyrido(3,4-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-

Base Information

Chemical Name:Pyrido(3,4-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-
CAS No.:91833-77-1
Deprecated CAS:104610-20-0
Molecular Formula:C₁₃H₁₉N₃OS
Molecular Weight:265.379
Hs Code.:
DSSTox Substance ID:DTXSID30869086
Nikkaji Number:J3.072.376G
ChEMBL ID:CHEMBL308421
Mol file:91833-77-1.mol

Synonyms:91833-77-1;Pyrido(3,4-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-;2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydropyrido[3,4-f][1,4]oxazepine-5-thione;SCHEMBL142130;CHEMBL308421;DTXSID30869086;Pyrido[3,4-f]-1,4-oxazepine-5(2H)-thione,2-[2-(dimethylamino)ethyl]-3,4-dihydro-4-methyl-;J-524133;2-[2-(Dimethylamino)ethyl]-4-methyl-3,4-dihydropyrido[3,4-f][1,4]oxazepine-5(2H)-thione

Suppliers and Price of Pyrido(3,4-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-

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
ROCASTINE 95.00%
5MG
$ 503.17

Total 2 raw suppliers

Chemical Property of Pyrido(3,4-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-

Chemical Property:

Vapor Pressure:6.05E-06mmHg at 25°C
Boiling Point:379°C at 760 mmHg
Flash Point:183°C
PSA：60.69000
Density:1.2g/cm³
LogP:1.33950
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:265.12488341
Heavy Atom Count:18
Complexity:298

Purity/Quality:: ROCASTINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CC(OC2=C(C1=S)C=NC=C2)CCN(C)C

Technology Process of Pyrido(3,4-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-

There total 2 articles about Pyrido(3,4-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl- 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:

: 91833-75-9
2-[2-(dimethylamino)ethyl]-2,3-dihydro-4-methylpyrido[3,4-f][1,4]oxazepin-5(4H)-one

: 91833-77-1
rocastine

Guidance literature:: With tetraphosphorus decasulfide; In pyridine; Yield given; Heating;
DOI:10.1021/jm00129a026

Reference yield:

: 91833-21-5
2-(2-chloroethyl)-2,3-dihydro-4-methylpyrido[3,4-f][1,4]oxazepin-5(4H)-one

: 91833-77-1
rocastine

Guidance literature:: Multi-step reaction with 2 steps

1: Ambient temperature

2: P₂S₅ / pyridine / Heating

With tetraphosphorus decasulfide; In pyridine;
DOI:10.1021/jm00129a026