9-Methoxy-3,4-dihydrobenzo[B]oxepin-5(2H)-one

Base Information

Chemical Name:9-Methoxy-3,4-dihydrobenzo[B]oxepin-5(2H)-one
CAS No.:127557-08-8
Molecular Formula:C11H12O3
Molecular Weight:192.214
Hs Code.:2932999099
DSSTox Substance ID:DTXSID40562713
Nikkaji Number:J277.146B
Wikidata:Q72489679
Mol file:127557-08-8.mol

Synonyms:127557-08-8;9-METHOXY-3,4-DIHYDROBENZO[B]OXEPIN-5(2H)-ONE;9-METHOXY-3,4-DIHYDRO-2H-1-BENZOXEPIN-5-ONE;9-Methoxy-3,4-dihydro-1-benzoxepin-5(2H)-one;9-METHOXY-2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-5-ONE;SCHEMBL1181324;DTXSID40562713;OOANXHDARKDPIG-UHFFFAOYSA-N;CFA55708;MFCD11104511;AKOS009331218;CS-0215078;EN300-219674;Y10977;9-Methoxy-3,4-dihydro-1-benzoxepin-5 (2H)-one;1-Benzoxepin-5(2H)-one, 3,4-dihydro-9-methoxy-;Z382721414

Suppliers and Price of 9-Methoxy-3,4-dihydrobenzo[B]oxepin-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

TRC
9-methoxy-3,4-dihydrobenzo[b]oxepin-5(2h)-one
50mg
$ 175.00

Crysdot
9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one 95+%
1g
$ 510.00

Chemenu
9-methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one 95%
1g
$ 482.00

American Custom Chemicals Corporation
9-METHOXY-3,4-DIHYDROBENZO[B]OXEPIN-5(2H)-ONE 95.00%
5MG
$ 501.52

Alichem
9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one
1g
$ 449.28

AK Scientific
9-Methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one
2.5g
$ 1996.00

Total 14 raw suppliers

Chemical Property of 9-Methoxy-3,4-dihydrobenzo[B]oxepin-5(2H)-one

Chemical Property:

PSA：35.53000
LogP:2.05050
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:192.078644241
Heavy Atom Count:14
Complexity:215

Purity/Quality:

97% ^*data from raw suppliers

9-methoxy-3,4-dihydrobenzo[b]oxepin-5(2h)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC2=C1OCCCC2=O

Technology Process of 9-Methoxy-3,4-dihydrobenzo[B]oxepin-5(2H)-one

There total 6 articles about 9-Methoxy-3,4-dihydrobenzo[B]oxepin-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: 77.0%

: 127557-25-9
2,3,4,5-tetrahydro-9-methoxy-5-oxo-1-benzoxepin-4-carboxylic acid ethyl ester

: 127557-08-8
3,4-dihydro-9-methoxy-1-benzoxepin-5(2H)-one

Guidance literature:: With sodium hydroxide; In water; for 0.5h; Heating;

Reference yield: 7.0%

: 104215-93-2
4-(2-methoxyphenoxy)butanoic acid

: 127557-08-8
3,4-dihydro-9-methoxy-1-benzoxepin-5(2H)-one

: 127556-91-6
4-(2-Methoxy-phenoxy)-butyric acid 2-methoxy-phenyl ester

Guidance literature:: With PPA; at 50 ℃; for 1h;

Reference yield:

: 35030-98-9
ethyl 2-hydroxy-3-methoxybenzoate

: 127557-08-8
3,4-dihydro-9-methoxy-1-benzoxepin-5(2H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 96 percent / K₂CO₃, KI / acetone / Heating

2: 71 percent / NaH, ethanol / dimethylformamide / 1.) room temperature, 2.) reflux, 0.5 h

3: 77 percent / NaOH / H₂O / 0.5 h / Heating

With sodium hydroxide; ethanol; sodium hydride; potassium carbonate; potassium iodide; In water; N,N-dimethyl-formamide; acetone;