3-(Methylamino)-1-benzoxepin-5(2H)-one

Base Information

Chemical Name:3-(Methylamino)-1-benzoxepin-5(2H)-one
CAS No.:77956-39-9
Molecular Formula:C11H11 N O2
Molecular Weight:189.214
Hs Code.:2932999099
European Community (EC) Number:278-800-6
DSSTox Substance ID:DTXSID80228624
Nikkaji Number:J319.707G
Mol file:77956-39-9.mol

Synonyms:3-(Methylamino)-1-benzoxepin-5(2H)-one;77956-39-9;EINECS 278-800-6;3-methylamino-1-benzoxepin-5-(2H)-one;SCHEMBL10552969;DTXSID80228624;AKOS006280235;3-methylamino-1-benzoxepin-5(2H)-one;NS00037962

Suppliers and Price of 3-(Methylamino)-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
3-(METHYLAMINO)-1-BENZOXEPIN-5(2H)-ONE 95.00%
5MG
$ 495.70

Total 3 raw suppliers

Chemical Property of 3-(Methylamino)-1-benzoxepin-5(2H)-one

Chemical Property:

Vapor Pressure:8.93E-05mmHg at 25°C
Melting Point:176-178 °C(Solv: methanol (67-56-1))
Boiling Point:339.9°C at 760 mmHg
PKA:4.70±0.20(Predicted)
Flash Point:159.3°C
PSA：38.33000
Density:1.2g/cm³
LogP:1.75590
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:189.078978594
Heavy Atom Count:14
Complexity:260

Purity/Quality:

99% ^*data from raw suppliers

3-(METHYLAMINO)-1-BENZOXEPIN-5(2H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC1=CC(=O)C2=CC=CC=C2OC1

Technology Process of 3-(Methylamino)-1-benzoxepin-5(2H)-one

There total 3 articles about 3-(Methylamino)-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: 81.0%

: 62557-53-3
2,3,4,5-tetrahydro-1-benzoxepine-3,5-dione

: 74-89-5
methylamine

: 77956-39-9
3-methylamino-1-benzoxepin-5-(2H)-one

Guidance literature:: formic acid; In dichloromethane; Heating;

Reference yield:

: 77956-92-4
methyl 2-(2-acetylphenoxy)acetate

: 77956-39-9
3-methylamino-1-benzoxepin-5-(2H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 63 percent / sodium hydride / dimethylformamide / 0.75 h / -20 - -10 °C

2: 81 percent / formic acid / CH₂Cl₂ / Heating

With sodium hydride; formic acid; In dichloromethane; N,N-dimethyl-formamide;