3,4-Dihydro-4-((4-methoxyphenyl)methylene)-6,8,9-trimethyl-1-benzoxepin-5(2H)-one

Base Information

Chemical Name:3,4-Dihydro-4-((4-methoxyphenyl)methylene)-6,8,9-trimethyl-1-benzoxepin-5(2H)-one
CAS No.:124392-68-3
Molecular Formula:C21H22 O3
Molecular Weight:322.402
Hs Code.:
Wikidata:Q76389741
Mol file:124392-68-3.mol

Synonyms:BRN 4519397;124392-68-3;3,4-Dihydro-4-((4-methoxyphenyl)methylene)-6,8,9-trimethyl-1-benzoxepin-5(2H)-one;1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-6,8,9-trimethyl-;(4Z)-4-[(4-methoxyphenyl)methylidene]-6,8,9-trimethyl-2,3-dihydro-1-benzoxepin-5-one;1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-6,8 ,9-trimethyl-;TUPADJLQVBXVPH-ATVHPVEESA-N;LS-42534

Suppliers and Price of 3,4-Dihydro-4-((4-methoxyphenyl)methylene)-6,8,9-trimethyl-1-benzoxepin-5(2H)-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

American Custom Chemicals Corporation
1-BENZOXEPIN-5(2H)-ONE, 3,4-DIHYDRO-4-((4-METHOXYPHENYL)METHYLENE)-6,8,9-TRIMETHYL- 95.00%
5MG
$ 496.38

Total 2 raw suppliers

Chemical Property of 3,4-Dihydro-4-((4-methoxyphenyl)methylene)-6,8,9-trimethyl-1-benzoxepin-5(2H)-one

Chemical Property:

Vapor Pressure:8.99E-11mmHg at 25°C
Boiling Point:516.4°Cat760mmHg
Flash Point:258.6°C
PSA：35.53000
Density:1.142g/cm³
LogP:4.66920
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:322.15689456
Heavy Atom Count:24
Complexity:476

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1-BENZOXEPIN-5(2H)-ONE, 3,4-DIHYDRO-4-((4-METHOXYPHENYL)METHYLENE)-6,8,9-TRIMETHYL- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C2C(=C1C)OCCC(=CC3=CC=C(C=C3)OC)C2=O)C
Isomeric SMILES:CC1=CC(=C2C(=C1C)OCC/C(=C/C3=CC=C(C=C3)OC)/C2=O)C

Technology Process of 3,4-Dihydro-4-((4-methoxyphenyl)methylene)-6,8,9-trimethyl-1-benzoxepin-5(2H)-one

There total 2 articles about 3,4-Dihydro-4-((4-methoxyphenyl)methylene)-6,8,9-trimethyl-1-benzoxepin-5(2H)-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: 74.0%

: 124392-60-5
6,8,9-trimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one

: 123-11-5
4-methoxy-benzaldehyde

: 124392-68-3
4-(4-methoxybenzylidene)-6,8,9-trimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one

Guidance literature:: With potassium hydroxide; at 30 ℃; for 24h;

Reference yield:

: 124392-59-2
γ-(2,3,5-trimethylphenoxy)butyric acid

: 124392-68-3
4-(4-methoxybenzylidene)-6,8,9-trimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one

Guidance literature:: Multi-step reaction with 2 steps

1: 64 percent / PPA / 2.5 h / Heating

2: 74 percent / 4percent ethanolic KOH / 24 h / 30 °C

With potassium hydroxide;