(1)Benzothiepino(5,4-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-5,6-dihydro-, 7-oxide

Base Information

Chemical Name:(1)Benzothiepino(5,4-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-5,6-dihydro-, 7-oxide
CAS No.:118288-67-8
Molecular Formula:C18H13 Cl N2 O2 S
Molecular Weight:356.826
Hs Code.:
DSSTox Substance ID:DTXSID00922652
Nikkaji Number:J386.851F
Wikipedia:Y-23684
Wikidata:Q8045691
ChEMBL ID:CHEMBL4759894
Mol file:118288-67-8.mol

Synonyms:(1)Benzothiepino(5,4-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-5,6-dihydro-, 7-oxide;2-(4-chlorophenyl)-5,6-dihydro-(1)-benzothiepino(5,4-c)pyridazin-3(2H)-one-7-oxide;Y 23684;Y-23684

Suppliers and Price of (1)Benzothiepino(5,4-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-5,6-dihydro-, 7-oxide

Supply Marketing:

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

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Chemical Property of (1)Benzothiepino(5,4-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-5,6-dihydro-, 7-oxide

Chemical Property:

Vapor Pressure:1.6E-14mmHg at 25°C
Boiling Point:603.6°Cat760mmHg
Flash Point:318.8°C
PSA：71.17000
Density:1.48g/cm³
LogP:4.08230
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:356.0386265
Heavy Atom Count:24
Complexity:610

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CS(=O)C2=CC=CC=C2C3=NN(C(=O)C=C31)C4=CC=C(C=C4)Cl

Technology Process of (1)Benzothiepino(5,4-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-5,6-dihydro-, 7-oxide

There total 5 articles about (1)Benzothiepino(5,4-c)pyridazin-3(2H)-one, 2-(4-chlorophenyl)-5,6-dihydro-, 7-oxide 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: 74.0%

: 118288-65-6
2-(4-chlorophenyl)-5,6-dihydro-[1]benzothiepino[5,4-c]-pyridazin-3(2H)-one

: 118288-67-8
2-(4-chlorophenyl)-5,6-dihydro-⁽¹⁾benzothiepino[5,4-c]pyridazine-3(2H)-one 7-oxide

Guidance literature:: With formic acid; dihydrogen peroxide; at 5 - 10 ℃; for 1h;
DOI:10.1248/cpb.39.2556

Reference yield:

: 1073-70-7
4-chlorophenylhydrazine hydrochloride

: 118288-67-8
2-(4-chlorophenyl)-5,6-dihydro-⁽¹⁾benzothiepino[5,4-c]pyridazine-3(2H)-one 7-oxide

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / NaOAc / ethanol / Heating

2: 88 percent / Br₂, AcOH / 1 h / 40 - 45 °C

3: 74 percent / 30percent H₂O₂, HCO₂H / 1 h / 5 - 10 °C

With formic acid; dihydrogen peroxide; bromine; sodium acetate; acetic acid; In ethanol;
DOI:10.1248/cpb.39.2556

Reference yield:

: 118288-39-4
5-Oxo-2,3,4,5-tetrahydro-1-benzothiepin-4-acetic acid

: 118288-67-8
2-(4-chlorophenyl)-5,6-dihydro-⁽¹⁾benzothiepino[5,4-c]pyridazine-3(2H)-one 7-oxide

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / NaOAc / ethanol / Heating

2: 88 percent / Br₂, AcOH / 1 h / 40 - 45 °C

3: 74 percent / 30percent H₂O₂, HCO₂H / 1 h / 5 - 10 °C

With formic acid; dihydrogen peroxide; bromine; sodium acetate; acetic acid; In ethanol;
DOI:10.1248/cpb.39.2556