6-Methyl-6,11-dihydro-11-((N,N-dimethylamino)acetyl)dibenzo(c,f)-(1,2,5)-thiadiazepine 5,5-dioxide

Base Information

Chemical Name:6-Methyl-6,11-dihydro-11-((N,N-dimethylamino)acetyl)dibenzo(c,f)-(1,2,5)-thiadiazepine 5,5-dioxide
CAS No.:128377-70-8
Molecular Formula:C₁₇H₁₉N₃O₃S
Molecular Weight:345.422
Hs Code.:
DSSTox Substance ID:DTXSID50155872
Nikkaji Number:J410.586I
Wikidata:Q83023859
ChEMBL ID:CHEMBL29504
Mol file:128377-70-8.mol

Synonyms:6-MDTD;6-methyl-6,11-dihydro-11-((N,N-dimethylamino)acetyl)dibenzo(c,f)-(1,2,5)-thiadiazepine 5,5-dioxide

Suppliers and Price of 6-Methyl-6,11-dihydro-11-((N,N-dimethylamino)acetyl)dibenzo(c,f)-(1,2,5)-thiadiazepine 5,5-dioxide

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 1 raw suppliers

Chemical Property of 6-Methyl-6,11-dihydro-11-((N,N-dimethylamino)acetyl)dibenzo(c,f)-(1,2,5)-thiadiazepine 5,5-dioxide

Chemical Property:

Vapor Pressure:1.65E-12mmHg at 25°C
Boiling Point:558.5°Cat760mmHg
Flash Point:291.6°C
PSA：69.31000
Density:1.308g/cm³
LogP:3.26220
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:345.11471265
Heavy Atom Count:24
Complexity:572

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=CC=CC=C2N(C3=CC=CC=C3S1(=O)=O)C(=O)CN(C)C

Technology Process of 6-Methyl-6,11-dihydro-11-((N,N-dimethylamino)acetyl)dibenzo(c,f)-(1,2,5)-thiadiazepine 5,5-dioxide

There total 9 articles about 6-Methyl-6,11-dihydro-11-((N,N-dimethylamino)acetyl)dibenzo(c,f)-(1,2,5)-thiadiazepine 5,5-dioxide 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: 70.0%

: 128377-93-5
6-methyl-6,11-dihydro-11-(chloroacetyl)dibenzo<1,2,5>thiadiazepine 5,5-dioxide

: 124-40-3
dimethyl amine

: 128377-70-8
6-methyl-6,11-dihydro-11<(N,N-dimethylamino)acetyl>dibenzo-<1,2,5>thiadiazepine 5,5 dioxide

Guidance literature:: In water; acetone; for 48h; Ambient temperature;
DOI:10.1021/jm00108a018

Reference yield:

: 10398-11-5
N-(2-bromophenyl)-N-methyl-2-(acetylamino)benzenesulfonamide

: 128377-70-8
6-methyl-6,11-dihydro-11<(N,N-dimethylamino)acetyl>dibenzo-<1,2,5>thiadiazepine 5,5 dioxide

Guidance literature:: Multi-step reaction with 3 steps

1: 91 percent / K₂CO₃, copper, CuBr / dimethylformamide / 8 h / Heating

2: 80 percent / 2 h / Heating

3: 70 percent / acetone; H₂O / 48 h / Ambient temperature

With copper; potassium carbonate; copper(I) bromide; In water; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm00108a018

Reference yield:

: 10398-64-8
N-(2-bromophenyl)-2-nitrobenzene-1-sulfonamide

: 128377-70-8
6-methyl-6,11-dihydro-11<(N,N-dimethylamino)acetyl>dibenzo-<1,2,5>thiadiazepine 5,5 dioxide

Guidance literature:: Multi-step reaction with 6 steps

1: iron, acetic acid / 1 h / Heating

2: acetic acid

3: 92 percent / NaOCH₃ / methanol / 24 h / Ambient temperature

4: 91 percent / K₂CO₃, copper, CuBr / dimethylformamide / 8 h / Heating

5: 80 percent / 2 h / Heating

6: 70 percent / acetone; H₂O / 48 h / Ambient temperature

With sodium methylate; iron; copper; potassium carbonate; acetic acid; copper(I) bromide; In methanol; water; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm00108a018