Hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one

Base Information

Chemical Name:Hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one
CAS No.:71592-43-3
Molecular Formula:C14H19 N O2
Molecular Weight:233.31
Hs Code.:2933790090
European Community (EC) Number:275-649-8
DSSTox Substance ID:DTXSID50992143
Nikkaji Number:J289.222G
ChEMBL ID:CHEMBL1727938
Mol file:71592-43-3.mol

Synonyms:3-(3-methoxyphenyl)-1-methylazepan-2-one;71592-43-3;Hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one;EINECS 275-649-8;3-(3-METHOXYPHENYL)-1-METHYL-2-AZEPANONE;Maybridge1_006498;MLS000861457;SCHEMBL7566101;CHEMBL1727938;HMS559P08;DTXSID50992143;HPYQDDXKEGCTGC-UHFFFAOYSA-N;HMS2777J04;AKOS022173290;NCGC00246690-01;SMR000460241;FT-0739239;3-(3-methoxy-phenyl)-1-methyl-azepan-2-one;BRD-A63083824-001-08-4

Suppliers and Price of Hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-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

Crysdot
3-(3-Methoxyphenyl)-1-methylazepan-2-one 95+%
1g
$ 762.00

Chemenu
3-(3-methoxyphenyl)-1-methylazepan-2-one 95%
1g
$ 720.00

American Custom Chemicals Corporation
3-(3-METHOXYPHENYL)-1-METHYL-2-AZEPANONE 95.00%
5MG
$ 503.89

Total 10 raw suppliers

Chemical Property of Hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one

Chemical Property:

Vapor Pressure:2.66E-06mmHg at 25°C
Boiling Point:390.4°C at 760 mmHg
Flash Point:189.9°C
PSA：29.54000
Density:1.060
LogP:2.35900
Storage Temp.:2-8°C
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:233.141578849
Heavy Atom Count:17
Complexity:267

Purity/Quality:

99.90% ^*data from raw suppliers

3-(3-Methoxyphenyl)-1-methylazepan-2-one 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCCCC(C1=O)C2=CC(=CC=C2)OC

Technology Process of Hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one

There total 8 articles about Hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-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: 90.0%

: 71592-44-4
hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one

: 77-78-1
dimethyl sulfate

: 71592-43-3
hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one

Guidance literature:: With sodium hydroxide; Ambient temperature;

Reference yield: 40.0%

: 2556-73-2
1-methyl-2-azepanone

: 766-51-8
2-Chloroanisole

: 71592-43-3
hexahydro-3-(3-methoxyphenyl)-1-methyl-2H-azepin-2-one

Guidance literature:: 1-methyl-2-azepanone; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.333333h;

2-Chloroanisole; In tetrahydrofuran; hexane; for 0.5h;
DOI:10.1021/jm020587n