13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one

Base Information

Chemical Name:13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
CAS No.:869802-44-8
Molecular Formula:C₁₉H₁₈N₄OS
Molecular Weight:350.444
Hs Code.:
ChEMBL ID:CHEMBL385336
DSSTox Substance ID:DTXSID10468132
Pharos Ligand ID:DP6VK6H86B1Y
Wikidata:Q27074083
Mol file:869802-44-8.mol

$13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one$

Synonyms:9-dimethylamino-3-(4-ethylphenyl)-3H-5-thia-1,3,6-triazafluoren-4-one;9-dimethylamino-ETTO;A 794282;A-794282;A794282

Suppliers and Price of 13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one

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
4-DIMETHYLAMINO-7-(4-ETHYL-PHENYL)-7H-9-THIA-1,5,7-TRIAZA-FLUOREN-8-ONE 95.00%
5MG
$ 500.36

Total 3 raw suppliers

Chemical Property of 13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:350.12013238
Heavy Atom Count:25
Complexity:532

Purity/Quality:

99% ^*data from raw suppliers

4-DIMETHYLAMINO-7-(4-ETHYL-PHENYL)-7H-9-THIA-1,5,7-TRIAZA-FLUOREN-8-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC1=CC=C(C=C1)N2C=NC3=C(C2=O)SC4=NC=CC(=C34)N(C)C

Technology Process of 13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one

There total 6 articles about 13-(Dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one 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: 73.0%

: 4-dimethylamino-5-(dimethylaminomethyleneamino)thieno[8,9-b]pyridine-6-carboxylic acid methyl ester

: 589-16-2
4-aminoethylbenzene

: 869802-44-8
9-dimethylamino-3-(4-ethylphenyl)-3H-5-thia-1,3,6-triazafluoren-4-one

Guidance literature:: With toluene-4-sulfonic acid; In toluene; at 130 ℃;
DOI:10.1021/jm0504407

Reference yield:

: 331857-03-5
5-amino-4-dimethylaminothieno[8,9-b]pyridine-6-carboxylic acid methyl ester

: 869802-44-8
9-dimethylamino-3-(4-ethylphenyl)-3H-5-thia-1,3,6-triazafluoren-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / 5 h / Heating

2: 73 percent / p-TsOH / toluene

With toluene-4-sulfonic acid; In toluene;
DOI:10.1016/j.bmcl.2006.06.053

Reference yield:

: 14164-26-2
α-Cyano-β-dimethylaminocrotononitrile

: 869802-44-8
9-dimethylamino-3-(4-ethylphenyl)-3H-5-thia-1,3,6-triazafluoren-4-one

Guidance literature:: Multi-step reaction with 5 steps

1.1: 93 percent / 1.33 h / 100 °C

2.1: 98 percent / HCl(gas) / methanol / 10 h / 0 °C

3.1: NaH / tetrahydrofuran / 0 °C

3.2: tetrahydrofuran / 24 h / 20 °C

3.3: 85 percent / NaH / tetrahydrofuran / 1.83 h / Heating

4.1: 99 percent / ethanol / 4.5 h / Heating

5.1: 73 percent / p-toluenesulfonic acid / toluene / 130 °C

With hydrogenchloride; sodium hydride; toluene-4-sulfonic acid; In tetrahydrofuran; methanol; ethanol; toluene;
DOI:10.1021/jm0504407