8-Methylsulfanyl-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-one

Base Information

Chemical Name:8-Methylsulfanyl-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-one
CAS No.:222036-26-2
Molecular Formula:C₁₀H₈N₂OS₂
Molecular Weight:236.318
Hs Code.:
DSSTox Substance ID:DTXSID40453511
Mol file:222036-26-2.mol

Synonyms:222036-26-2;8-methylsulfanyl-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-one;8-(Methylthio)-6,8-dihydro-7H-thiazolo[5,4-e]indol-7-one;8-METHYLSULFANYL-6,8-DIHYDRO-THIAZOLO[5,4-E]INDOL-7-ONE;8-methylsulfanyl-6,8-dihydrothiazolo[5,4-e]indol-7-one;SCHEMBL5873965;DTXSID40453511;CDDAPLGLEUDMCX-UHFFFAOYSA-N;8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one;A898374;8-methylsulfanyl-6, 8-dihydro-1-thia-3,6-diaza-as-indacen-7-one;8-(methylsulfanyl)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one

Suppliers and Price of 8-Methylsulfanyl-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-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

TRC
6,8-Dihydro-8-(methylthio)-7H-pyrrolo[2,3-g]benzothiazol-7-one
500mg
$ 1420.00

American Custom Chemicals Corporation
8-METHYLSULFANYL-6,8-DIHYDRO-THIAZOLO[5,4-E]INDOL-7-ONE 95.00%
5MG
$ 498.52

Total 3 raw suppliers

Chemical Property of 8-Methylsulfanyl-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:465.2°Cat760mmHg
Flash Point:235.1°C
PSA：95.53000
Density:1.5g/cm³
LogP:2.79050
Solubility.:Dichloromethane + Methanol; DMF; DMSO
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:236.00780523
Heavy Atom Count:15
Complexity:287

Purity/Quality:

97% ^*data from raw suppliers

6,8-Dihydro-8-(methylthio)-7H-pyrrolo[2,3-g]benzothiazol-7-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1C2=C(C=CC3=C2SC=N3)NC1=O
Uses 6,8-Dihydro-8-(methylthio)-7H-pyrrolo[2,3-g]benzothiazol-7-one is an intermediate in synthesizing Imidazolo-oxindole PKR inhibitor C16 (PKR Inhibitor) (P572500). It is a drug which acts as a selective inhibitor of the enzyme double-stranded RNA-dependent protein kinase (PKR). It has been shown to effectively inhibit PKR function in vivo and has neuroprotective and nootropic effects in animal studies.

Technology Process of 8-Methylsulfanyl-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-one

There total 1 articles about 8-Methylsulfanyl-6,8-dihydro-1-thia-3,6-diaza-as-indacen-7-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: 79.0%

: 533-30-2
1,3-benzothiazol-6-amine

: 4455-13-4
methylthioacetic acid ethyl ester

: 222036-26-2
8-(methylsulfanyl)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one

Guidance literature:: 1,3-benzothiazol-6-amine; With tert-butylhypochlorite; In tetrahydrofuran; dichloromethane; at -74 ℃; for 3h; Cooling with acetone-dry ice;

methylthioacetic acid ethyl ester; In tetrahydrofuran; dichloromethane; for 3h; Cooling with acetone-dry ice;

With triethylamine; In tetrahydrofuran; dichloromethane; for 0.5h; Cooling with acetone-dry ice;

Reference yield: 70.0%

: 222036-26-2
8-(methylsulfanyl)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one

: 222036-27-3
6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one

Guidance literature:: With acetic acid; zinc; In tetrahydrofuran; at 60 ℃; for 2.5h; Heating / reflux;

Reference yield:

: 222036-26-2
8-(methylsulfanyl)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one

: N-methyl-4-{[(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzenesulfonamide

Guidance literature:: Multi-step reaction with 3 steps

1: 49 percent / Zn; acetic acid / tetrahydrofuran / 3.5 h / 60 - 65 °C

2: 82 percent / acetic acid / 1.5 h / Heating

3: ethanol / 18 h / Heating

With acetic acid; zinc; In tetrahydrofuran; ethanol;
DOI:10.1021/jm010117d