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

Base Information

Chemical Name:2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-
CAS No.:116337-68-9
Molecular Formula:C18H16 Cl N O3
Molecular Weight:329.7775
Hs Code.:
DSSTox Substance ID:DTXSID80151362
Wikidata:Q83017814
Mol file:116337-68-9.mol

Synonyms:BRN 5976267;2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl-;7-(4-Chlorobenzoyl)-2,2,4-trimethyl-2H-1,4-benzoxazin-3(4H)-one;116337-68-9;DTXSID80151362;LS-41831

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

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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

Chemical Property:

Vapor Pressure:3.08E-12mmHg at 25°C
Boiling Point:552.2°C at 760 mmHg
Flash Point:287.7°C
Density:1.252g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:329.0818711
Heavy Atom Count:23
Complexity:485

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(=O)N(C2=C(O1)C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C)C

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

There total 4 articles about 2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-2,2,4-trimethyl- 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: 60.0%

: 600-00-0
ethyl 2-bromoisobutyrate

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

: 116337-68-9
7-(4-Chloro-benzoyl)-2,2,4-trimethyl-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

: 116337-68-9
7-(4-Chloro-benzoyl)-2,2,4-trimethyl-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: 60 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

: 116337-68-9
7-(4-Chloro-benzoyl)-2,2,4-trimethyl-4H-benzo[1,4]oxazin-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / NaOH

2: 60 percent / C₂H₅ONa / dimethylsulfoxide / 3 h / Ambient temperature

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