(4E)-4-benzylidene-1,1-dioxo-2,3-dihydro-1lambda6-benzothiepin-5-one

Base Information

Chemical Name:(4E)-4-benzylidene-1,1-dioxo-2,3-dihydro-1lambda6-benzothiepin-5-one
CAS No.:40322-51-8
Molecular Formula:C₁₇H₁₄O₃S
Molecular Weight:298.362
Hs Code.:
NSC Number:241050
DSSTox Substance ID:DTXSID90420354
ChEMBL ID:CHEMBL2094520
Mol file:40322-51-8.mol

Synonyms:NSC241050;40322-51-8;CHEMBL2094520;DTXSID90420354;DNDI1417198;NSC-241050;Z56757929

Suppliers and Price of (4E)-4-benzylidene-1,1-dioxo-2,3-dihydro-1lambda6-benzothiepin-5-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

Total 5 raw suppliers

Chemical Property of (4E)-4-benzylidene-1,1-dioxo-2,3-dihydro-1lambda6-benzothiepin-5-one

Chemical Property:

Vapor Pressure:5.92E-12mmHg at 25°C
Boiling Point:545.4°Cat760mmHg
Flash Point:361.7°C
Density:1.326g/cm³
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:298.06636548
Heavy Atom Count:21
Complexity:521

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CS(=O)(=O)C2=CC=CC=C2C(=O)C1=CC3=CC=CC=C3
Isomeric SMILES:C\1CS(=O)(=O)C2=CC=CC=C2C(=O)/C1=C/C3=CC=CC=C3

Technology Process of (4E)-4-benzylidene-1,1-dioxo-2,3-dihydro-1lambda6-benzothiepin-5-one

There total 4 articles about (4E)-4-benzylidene-1,1-dioxo-2,3-dihydro-1lambda6-benzothiepin-5-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: 68.0%

: 22710-97-0
5-oxo-2,3,4,5-tetrahydro-1-benzothiepin 1,1-dioxide

: 100-52-7
benzaldehyde

: 40322-51-8
4-benzylidene-5-homothiochromanone 1,1-dioxide

Guidance literature:: With sodium hydroxide; In ethanol; for 12h; Ambient temperature;

Reference yield:

: 17742-51-7
4-phenylsulfanyl-butyric acid

: 40322-51-8
4-benzylidene-5-homothiochromanone 1,1-dioxide

Guidance literature:: Multi-step reaction with 3 steps

1: 30 percent / polyphosphoric acid / Heating

2: 10percent aq. NaOH / methanol / 2 h / Heating

3: 86 percent / 30percent aq. H₂O₂ / 3 h / Heating

With sodium hydroxide; PPA; dihydrogen peroxide; In methanol;

Reference yield:

: 21609-70-1
3,4-dihydro-2H-benzo[b]thiepin-5-one

: 40322-51-8
4-benzylidene-5-homothiochromanone 1,1-dioxide

Guidance literature:: Multi-step reaction with 2 steps

1: 10percent aq. NaOH / methanol / 2 h / Heating

2: 86 percent / 30percent aq. H₂O₂ / 3 h / Heating

With sodium hydroxide; dihydrogen peroxide; In methanol;