(7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-chlorobenzoate

Base Information

Chemical Name:(7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-chlorobenzoate
CAS No.:4714-65-2
Molecular Formula:C14H11ClO4S2
Molecular Weight:174.246
Hs Code.:
DSSTox Substance ID:DTXSID40410129
Mol file:4714-65-2.mol

Synonyms:1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-thieno[2,3-b]thiopyran-4-yl 3-chlorobenzenecarboxylate;4714-65-2;(7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-chlorobenzoate;6N-358S;1,1-dioxo-2H,3H,4H-1lambda6-thieno[2,3-b]thiopyran-4-yl 3-chlorobenzoate;Oprea1_566341;DTXSID40410129;AKOS005096179

Suppliers and Price of (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-chlorobenzoate

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 5 raw suppliers

Chemical Property of (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-chlorobenzoate

Chemical Property:

Vapor Pressure:1.81E-11mmHg at 25°C
Melting Point:48-49 °C
Boiling Point:533.7°Cat760mmHg
PKA:1.79±0.32(Predicted)
Flash Point:276.6°C
PSA：97.06000
Density:1.55g/cm³
LogP:4.55780
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:341.9787289
Heavy Atom Count:21
Complexity:502

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CS(=O)(=O)C2=C(C1OC(=O)C3=CC(=CC=C3)Cl)C=CS2

Technology Process of (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-chlorobenzoate

There total 12 articles about (7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl) 3-chlorobenzoate 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: 93.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 109-73-9,85404-21-3
N-butylamine

: 4714-65-2
N-butyl-4-aminobenzonitrile

Guidance literature:: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; 1,1'-bis(diphenylphosphino)ferrocene/Pd; sodium t-butanolate; In tetrahydrofuran; at 100 ℃; for 3h;
DOI:10.1021/ja960937t

Reference yield: 87.0%

: 109-72-8,29786-93-4
n-butyllithium

: 29577-88-6
(Z)-tert-Butyl (4-cyanophenyl)azo sulfide

: 4714-65-2
N-butyl-4-aminobenzonitrile

Guidance literature:: In diethyl ether; hexane; at -78 - 25 ℃; for 0.833333h;
DOI:10.1055/s-2003-38082

Reference yield: 79.0%

: N-butyl-N-(4-cyanophenyl)-4-methylbenzenesulfonamide

: 4714-65-2
N-butyl-4-aminobenzonitrile

Guidance literature:: With trifluorormethanesulfonic acid; In 1,2-dichloro-ethane; at 25 - 90 ℃; for 70h; Inert atmosphere;
DOI:10.1021/acs.joc.7b02507