6-(Trifluoromethyl)isatoic anhydride

Base Information

• Chemical Name: 6-(Trifluoromethyl)isatoic anhydride
• CAS No.: 387-18-8
• Molecular Formula: C₉H₄F₃NO₃
• Molecular Weight: 231.131
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70508144
• Wikidata: Q82364860
• Mol file: 387-18-8.mol

Synonyms:6-(Trifluoromethyl)isatoic anhydride;387-18-8;5-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione;SCHEMBL4493847;DTXSID70508144;MFCD24850066;AKOS030535968;6-(Trifluoromethyl)isatoic anhydride 97%;PS-10616;6-(trifluoromethyl)-isatoic acid anhydride;FT-0777909;5-(Trifluoromethyl)-2H-3,1-benzoxazine-2,4(1H)-dione;5-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

Chemical Property of 6-(Trifluoromethyl)isatoic anhydride

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)isatoicAnhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1)NC(=O)OC2=O)C(F)(F)F

Technology Process of 6-(Trifluoromethyl)isatoic anhydride

There total 2 articles about 6-(Trifluoromethyl)isatoic anhydride 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: 48.0%

4-trifluoromethyl-1H-indole-2,3-dione (386-73-2) → 5-trifluoromethylisatoic anhydride (387-18-8)

Guidance literature:

With monoperoxyphthalic acid; In tetrahydrofuran; diethyl ether; at 0 ℃; for 5h;

DOI:10.1002/jhet.5570270746

Reference yield:

→ 5-trifluoromethylisatoic anhydride (387-18-8)

Guidance literature:

/BRN= 155737/;

DOI:10.1039/jr9570002916

Reference yield: 20.0%

5-trifluoromethylisatoic anhydride (387-18-8) → 2-Amino-6-trifluoromethyl-benzoic acid hydrazide (76746-18-4)

Guidance literature:

With hydrazine hydrate; Ambient temperature;

DOI:10.1021/jm00138a019

upstream raw materials:

4-trifluoromethyl-1H-indole-2,3-dione

Downstream raw materials:

2-Amino-6-trifluoromethyl-benzoic acid hydrazide

5-trifluoromethyl-5,8-dideazafolic acid

5-trifluoromethyl-5,8-dideazaisofolic acid

di-t-butyl 5-trifluoromethyl-5,8-dideazafolate

Refernces

• 1、 Singh,Govindan,Hynes. "Synthesis of 5-trifluoromethyl-5,8-dideazafolic acid and 5-trifluoromethyl-5,8-dideazaisofolic acid". . p. 2101 - 2105. Retrieved 2007/10/02.
• 2、 -. "OXADIAZOLYL IMIDAZOBENZODIAZEPINE DERIVATIVES PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHOD OF TREATING THEREWITH". . . Retrieved 2008/06/13.