6-(Azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile

Base Information

Chemical Name:6-(Azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No.:7063-93-6
Molecular Formula:C20H24N4O2S2
Molecular Weight:109.128
Hs Code.:
DSSTox Substance ID:DTXSID30414393

6-(Azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile

Synonyms:7063-93-6;DTXSID30414393;6-(Azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile

Suppliers and Price of 6-(Azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Total 2 raw suppliers

Chemical Property of 6-(Azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile

Chemical Property:

Vapor Pressure:7.63E-08mmHg at 25°C
Boiling Point:437.2°Cat760mmHg
Flash Point:218.2°C
Density:1.36g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:416.13406837
Heavy Atom Count:28
Complexity:870

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)C)N3CCCCCC3

Technology Process of 6-(Azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile

There total 5 articles about 6-(Azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile 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: 60.0%

: 98416-79-6
5-(1-bromoethyl)-3-methylisoxazole

: 7063-93-6
3-methyl-5-vinylisoxazole

Guidance literature:: With dibenzo-18-crown-6; potassium tert-butylate; In benzene; for 1h;

Reference yield:

: 689-97-4
3-buten-1-yne

: 683-58-9
acetohydroximoyl chloride

: 7063-93-6
3-methyl-5-vinylisoxazole

: 7063-94-7
5-ethynyl-3-methyl-4,5-dihydro-isoxazole

Guidance literature:: Multistep reaction; (i) Et₃N, Et₂O, (ii) /BRN= 1071193/;

Reference yield:

: 70753-36-5
3-methylisoxazole-5-carbaldehyde

: 13170-43-9
(trimethylsilyl)methylmagnesium chloride

: 7063-93-6
3-methyl-5-vinylisoxazole

Guidance literature:: 3-methylisoxazole-5-carbaldehyde; (trimethylsilyl)methylmagnesium chloride; In tetrahydrofuran; at 0 - 20 ℃; for 7.5h;

With sulfuric acid; In diethyl ether; at 0 - 20 ℃; for 2h;