6-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

Base Information

Chemical Name:6-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CAS No.:781-94-2
Molecular Formula:C9H4F3NO3
Molecular Weight:231.131
Hs Code.:2934999090
DSSTox Substance ID:DTXSID50707254
Wikidata:Q82640958
Mol file:781-94-2.mol

Synonyms:781-94-2;6-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione;6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione;5-(Trifluoromethyl)isatoic anhydride;6-(Trifluoromethyl)-1H-benzo[d][1,3]oxazine-2,4-dione;SCHEMBL5329059;6-(Trifluoromethyl)-2H-3,1-benzoxazine-2,4(1H)-dione;2H-3,1-Benzoxazine-2,4(1H)-dione, 6-(trifluoromethyl)-;DTXSID50707254;MFCD20501921;AKOS026726370;5-(trifluoromethyl)isatoic acid anhydride;PS-10615;CS-0209518;EN300-86292;6-Trifluoromethyl-1H-benzo[d][1,3]oxazine-2,4-dione;Z1258945435;6-(trifluoromethyl)-2H-benzo[d][1,3]oxazine-2,4(1H)-dione

Suppliers and Price of 6-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

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

TRC
6-(Trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
100mg
$ 240.00

SynQuest Laboratories
5-(Trifluoromethyl)isatoic anhydride
250 mg
$ 205.00

SynQuest Laboratories
5-(Trifluoromethyl)isatoic anhydride
1 g
$ 429.00

Chemcia Scientific
6-Trifluoromethyl-1H-benzo[d][1,3]oxazine-2,4-dione 95%
1 G
$ 360.00

Apolloscientific
5-(Trifluoromethyl)isatoicanhydride
1g
$ 389.00

Apolloscientific
5-(Trifluoromethyl)isatoicanhydride
250mg
$ 186.00

Total 6 raw suppliers

Chemical Property of 6-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

Chemical Property:

PSA：63.33000
LogP:1.91240
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:0
Exact Mass:231.01432748
Heavy Atom Count:16
Complexity:329

Purity/Quality:

99% ^*data from raw suppliers

6-(Trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1C(F)(F)F)C(=O)OC(=O)N2

Technology Process of 6-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

There total 4 articles about 6-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione 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%

: 141940-29-6
2-(tert-butoxycarbonylamino)-5-(trifluoromethyl)benzoic acid

: 781-94-2
6-(trifluoromethyl)-2H-benzo[d][1,3]oxazine-2,4(1H)-dione

Guidance literature:: With oxalyl dichloride; In toluene; for 1h; Heating / reflux;

Reference yield: 89.0%

: 32315-10-9
bis(trichloromethyl) carbonate

: 83265-53-6
2-amino-5-(trifluoromethyl)benzoic acid

: 781-94-2
6-(trifluoromethyl)-2H-benzo[d][1,3]oxazine-2,4(1H)-dione

Guidance literature:: In tetrahydrofuran; at 0 - 25 ℃; for 4h;

Reference yield: 73.0%

: 124-38-9,18923-20-1
carbon dioxide

: 201230-82-2
carbon monoxide

: 163444-17-5
2-iodo-4-(trifluoromethyl)aniline

: 781-94-2
6-(trifluoromethyl)-2H-benzo[d][1,3]oxazine-2,4(1H)-dione

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; cesium acetate; In tetrahydrofuran; at 60 ℃; for 16h;
DOI:10.1021/acscatal.7b03000