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

Base Information

Chemical Name:(4E)-4-benzylidene-2,3-dihydro-1-benzothiepin-5-one
CAS No.:40322-46-1
Molecular Formula:C₁₇H₁₄OS
Molecular Weight:266.364
Hs Code.:
NSC Number:241058
DSSTox Substance ID:DTXSID40359908

Synonyms:NSC241058;40322-46-1;DTXSID40359908;NSC-241058

Suppliers and Price of (4E)-4-benzylidene-2,3-dihydro-1-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 3 raw suppliers

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

Chemical Property:

Vapor Pressure:4.53E-08mmHg at 25°C
Boiling Point:443.7°Cat760mmHg
Flash Point:252.4°C
Density:1.223g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:266.07653624
Heavy Atom Count:19
Complexity:354

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CSC2=CC=CC=C2C(=O)C1=CC3=CC=CC=C3
Isomeric SMILES:C\1CSC2=CC=CC=C2C(=O)/C1=C/C3=CC=CC=C3

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

There total 3 articles about (4E)-4-benzylidene-2,3-dihydro-1-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: 61.0%

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

: 100-52-7
benzaldehyde

: 40322-46-1
4-benzylidene-5-homothiochromanone

Guidance literature:: With sodium hydroxide; In methanol; for 0.916667h; Heating;

Reference yield: 41.0%

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

: 100-52-7
benzaldehyde

: 40322-44-9
C₂₇H₂₄O₂S₂

: 40322-46-1
4-benzylidene-5-homothiochromanone

Guidance literature:: With sodium hydroxide; In methanol; for 2h; Heating;

Reference yield:

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

: 40322-46-1
4-benzylidene-5-homothiochromanone

Guidance literature:: Multi-step reaction with 2 steps

1: 30 percent / polyphosphoric acid / Heating

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

With sodium hydroxide; PPA; In methanol;