7-(Trifluoromethyl)-1H-benzo[d][1,3]oxazine-2,4-dione

Base Information

• Chemical Name: 7-(Trifluoromethyl)-1H-benzo[d][1,3]oxazine-2,4-dione
• CAS No.: 97928-01-3
• Molecular Formula: C9H4F3NO3
• Molecular Weight: 231.131
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90468892
• Nikkaji Number: J3.263.920H
• Wikidata: Q82296363
• Mol file: 97928-01-3.mol

Synonyms:97928-01-3;7-(Trifluoromethyl)-1H-benzo[d][1,3]oxazine-2,4-dione;4-(Trifluoromethyl)isatoic anhydride;7-(TRIFLUOROMETHYL)-1H-3,1-BENZOXAZINE-2,4-DIONE;7-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione;7-(trifluoromethyl)-2H-benzo[d][1,3]oxazine-2,4(1H)-dione;SCHEMBL10619033;2H-3,1-Benzoxazine-2,4(1H)-dione, 7-(trifluoromethyl)-;DTXSID90468892;XDA92801;MFCD21946140;AKOS016006966;AS-40480;CS-0150080;EN300-749067;7-trifluoromethyl-1H-3,1-benzoxazine-2,4-dione;A917331

Chemical Property of 7-(Trifluoromethyl)-1H-benzo[d][1,3]oxazine-2,4-dione

Chemical Property:

• PSA: 63.33000
• LogP: 1.91240
• Storage Temp.: Inert atmosphere,Room Temperature
• 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:

97% ^*data from raw suppliers

7-(Trifluoromethyl)-1h-benzo[D][1,3]oxazine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=O)OC2=O

Technology Process of 7-(Trifluoromethyl)-1H-benzo[d][1,3]oxazine-2,4-dione

There total 6 articles about 7-(Trifluoromethyl)-1H-benzo[d][1,3]oxazine-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: 98.0%

bis(trichloromethyl) carbonate (32315-10-9) + 2-amino-4-trifluoromethylbenzoic acid (402-13-1) → 7-trifluoromethyl-1,2-dihydro-3,1-benzoxazine-2,4-dione (97928-01-3)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 5h; Inert atmosphere; Large scale;

Reference yield:

2-tert-butoxycarbonylamino-4-trifluoromethyl-benzoic acid (141940-28-5) → 7-trifluoromethyl-1,2-dihydro-3,1-benzoxazine-2,4-dione (97928-01-3)

Guidance literature:

2-tert-butoxycarbonylamino-4-trifluoromethyl-benzoic acid; With 2-chloro-1-methyl-pyridinium iodide; In acetonitrile; at 20 ℃; for 0.166667h;

With hydrogenchloride; In water; acetonitrile;

DOI:10.1016/j.tetlet.2013.10.034

Reference yield:

phosgene (75-44-5) + 2-amino-4-trifluoromethylbenzoic acid (402-13-1) → 7-trifluoromethyl-1,2-dihydro-3,1-benzoxazine-2,4-dione (97928-01-3)

Guidance literature:

With sodium carbonate; In water; ethyl acetate; toluene;

upstream raw materials:

6-(Trifluoromethyl)-1H-indol-2,3-dione

phosgene

2-amino-4-trifluoromethylbenzoic acid

bis(trichloromethyl) carbonate

Downstream raw materials:

C₈H₈F₃N₃O

2-amino-N-(benzyloxy)-4-trifluoromethylbenzamide

C₂₃H₁₄F₆N₂O₂

2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-5-(trifluoromethyl)aniline