3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-one

Base Information

Chemical Name:3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-one
CAS No.:501942-44-5
Molecular Formula:C₁₅H₁₀ClNO₂
Molecular Weight:271.703
Hs Code.:
DSSTox Substance ID:DTXSID001324039
ChEMBL ID:CHEMBL1589232
Mol file:501942-44-5.mol

Synonyms:3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-one;501942-44-5;3-(4-chlorophenyl)-4H-1,4-benzoxazepin-5-one;3-(4-chlorophenyl)-4,5-dihydro-1,4-benzoxazepin-5-one;Bionet2_001086;MLS000763891;CHEMBL1589232;DTXSID001324039;HMS1367B08;HMS2736P07;MFCD03787728;AKOS015992885;SMR000336514;4W-0891

Suppliers and Price of 3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-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-(4-CHLOROPHENYL)-1,4-BENZOXAZEPIN-5(4H)-ONE 95.00%
10MG
$ 736.14

American Custom Chemicals Corporation
3-(4-CHLOROPHENYL)-1,4-BENZOXAZEPIN-5(4H)-ONE 95.00%
5MG
$ 730.54

American Custom Chemicals Corporation
3-(4-CHLOROPHENYL)-1,4-BENZOXAZEPIN-5(4H)-ONE 95.00%
1MG
$ 688.84

Total 1 raw suppliers

Chemical Property of 3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-one

Chemical Property:

PSA：38.33000
LogP:3.78960
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:271.0400063
Heavy Atom Count:19
Complexity:374

Purity/Quality:: 3-(4-CHLOROPHENYL)-1,4-BENZOXAZEPIN-5(4H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)NC(=CO2)C3=CC=C(C=C3)Cl

Technology Process of 3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-one

There total 3 articles about 3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-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:

: 501942-41-2
(2-carbamoylphenoxymethyl)-(4-chlorophenyl)-ketone

: 501942-44-5
3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-one

Guidance literature:: With toluene-4-sulfonic acid; In toluene; at 70 ℃; Reflux;

Reference yield:

: 65-45-2
salicylamide

: 501942-44-5
3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate; potassium iodide / acetone / 7 h / Reflux

2: toluene-4-sulfonic acid / toluene / 70 °C / Reflux

With potassium carbonate; toluene-4-sulfonic acid; potassium iodide; In acetone; toluene;

Reference yield:

: 536-38-9
4-chlorobenzoylmethyl bromide

: 501942-44-5
3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate; potassium iodide / acetone / 7 h / Reflux

2: toluene-4-sulfonic acid / toluene / 70 °C / Reflux

With potassium carbonate; toluene-4-sulfonic acid; potassium iodide; In acetone; toluene;