2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4-methyl-

Base Information

Chemical Name:2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4-methyl-
CAS No.:116337-66-7
Molecular Formula:C16H12 Cl N O3
Molecular Weight:301.7244
Hs Code.:
DSSTox Substance ID:DTXSID20151361
Wikidata:Q83017813

Synonyms:BRN 5977550;2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4-methyl-;116337-66-7;7-(4-Chlorobenzoyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one;DTXSID20151361;LS-41830

Suppliers and Price of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4-methyl-

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

Total 0 raw suppliers

Chemical Property of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4-methyl-

Chemical Property:

Vapor Pressure:6.94E-13mmHg at 25°C
Melting Point:190-192 °C
Boiling Point:567.2°C at 760 mmHg
PKA:-2.11±0.20(Predicted)
Flash Point:296.9°C
PSA：46.61000
Density:1.341g/cm³
LogP:2.99120
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:301.0505709
Heavy Atom Count:21
Complexity:420

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=O)COC2=C1C=CC(=C2)C(=O)C3=CC=C(C=C3)Cl

Technology Process of 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4-methyl-

There total 4 articles about 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4-methyl- 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: 70.0%

: 105-36-2
ethyl bromoacetate

: 123172-46-3
(4-Chloro-phenyl)-(3-hydroxy-4-methylamino-phenyl)-methanone

: 116337-66-7
7-(4-Chloro-benzoyl)-4-methyl-4H-benzo[1,4]oxazin-3-one

Guidance literature:: With sodium ethanolate; In dimethyl sulfoxide; for 3h; Ambient temperature;
DOI:10.1016/0223-5234(89)90164-5

Reference yield:

: 21892-80-8
3-methylbenzo[d]oxazol-2(3H)-one

: 116337-66-7
7-(4-Chloro-benzoyl)-4-methyl-4H-benzo[1,4]oxazin-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / polyphosphoric acid / 4.5 h / 120 °C

2: 85 percent / NaOH

3: 70 percent / C₂H₅ONa / dimethylsulfoxide / 3 h / Ambient temperature

With sodium hydroxide; PPA; sodium ethanolate; In dimethyl sulfoxide;
DOI:10.1016/0223-5234(89)90164-5

Reference yield:

: 123172-44-1
6-(4-Chloro-benzoyl)-3-methyl-3H-benzooxazol-2-one

: 116337-66-7
7-(4-Chloro-benzoyl)-4-methyl-4H-benzo[1,4]oxazin-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / NaOH

2: 70 percent / C₂H₅ONa / dimethylsulfoxide / 3 h / Ambient temperature

With sodium hydroxide; sodium ethanolate; In dimethyl sulfoxide;
DOI:10.1016/0223-5234(89)90164-5