7,8-difluoro-3-methyl-2H-1,4-benzoxazine

Base Information

• Chemical Name: 7,8-difluoro-3-methyl-2H-1,4-benzoxazine
• CAS No.: 117321-74-1
• Molecular Formula: C₉H₇F₂NO
• Molecular Weight: 183.157
• DSSTox Substance ID: DTXSID00449197
• Nikkaji Number: J394.455G
• Wikidata: Q82268588
• Mol file: 117321-74-1.mol

Synonyms:7,8-difluoro-3-methyl-2H-1,4-benzoxazine;7,8-difluoro-3-methyl-2H-[1,4]benzoxazine;117321-74-1;SCHEMBL3339274;DTXSID00449197;BLQUEQUJBDELIP-UHFFFAOYSA-N;3-Methyl-7,8-difluoro-2H-1,4-benzoxazine

Chemical Property of 7,8-difluoro-3-methyl-2H-1,4-benzoxazine

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 183.04957017
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(C(=C(C=C2)F)F)OC1

Technology Process of 7,8-difluoro-3-methyl-2H-1,4-benzoxazine

There total 1 articles about 7,8-difluoro-3-methyl-2H-1,4-benzoxazine 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:

3,4-difluoro-2-(2-oxopropyloxy)nitrobenzene (82419-32-7) → 7,8-difluoro-3-methyl-2H-1,4-benzoxazine (117321-74-1) + (-)-7,8-difluoro-2,3-dihydro-3-methyl-4H-1,4-benzoxazine (82419-33-8)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; at 20 ℃; for 0.5h; under 760 Torr; Further Variations:; Reagents; Product distribution;

Reference yield: 92.0%

7,8-difluoro-3-methyl-2H-1,4-benzoxazine (117321-74-1) → (-)-7,8-difluoro-2,3-dihydro-3-methyl-4H-1,4-benzoxazine (82419-33-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 6h; under 15001.5 Torr; Reagent/catalyst; Autoclave; High pressure;

DOI:10.1021/acs.joc.8b02867

upstream raw materials:

3,4-difluoro-2-(2-oxopropyloxy)nitrobenzene

Downstream raw materials:

(-)-7,8-difluoro-2,3-dihydro-3-methyl-4H-1,4-benzoxazine

Refernces