4-Methyl-isatoic anhydride

Base Information

• Chemical Name: 4-Methyl-isatoic anhydride
• CAS No.: 63480-11-5
• Molecular Formula: C9H7 N O3
• Molecular Weight: 177.159
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90497703
• Wikidata: Q82347417
• Mol file: 63480-11-5.mol

Synonyms:63480-11-5;4-METHYL-ISATOIC ANHYDRIDE;7-methyl-1H-benzo[d][1,3]oxazine-2,4-dione;7-methyl-1H-3,1-benzoxazine-2,4-dione;7-methyl-2H-3,1-benzoxazine-2,4(1H)-dione;7-methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione;4-Methyl-isatoicanhydride;2H-3,1-Benzoxazine-2,4(1H)-dione, 7-methyl-;7-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione;DTXSID90497703;FTOHSJGKIFDLQU-UHFFFAOYSA-N;MFCD03426400;AKOS006344712;AC-6635;AS-37465;BP-10771;A8740;CS-0097728;FT-0687251;EN300-1718254;Q-102108;F2147-1096;Z1201622321

Chemical Property of 4-Methyl-isatoic anhydride

Chemical Property:

• Melting Point: 228 °C (decomp)
• PKA: 10.81±0.20(Predicted)
• PSA: 63.07000
• Density: 1.336g/cm³
• LogP: 0.78970
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.042593085
• Heavy Atom Count: 13
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-isatoicAnhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=O)OC(=O)N2

Technology Process of 4-Methyl-isatoic anhydride

There total 8 articles about 4-Methyl-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: 99.0%

triphosgene + 4-methylanthranilic acid (2305-36-4) → 7-methyl-2H-3,1-benzoxazine-2,4(1H)-dione (63480-11-5)

Guidance literature:

With potassium carbonate; In ethyl acetate; at 20 ℃; for 0.25h;

Reference yield: 93.0%

bis(trichloromethyl) carbonate (32315-10-9) + 4-methylanthranilic acid (2305-36-4) → 7-methyl-2H-3,1-benzoxazine-2,4(1H)-dione (63480-11-5)

Guidance literature:

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

Reference yield: 81.0%

→ 7-methyl-2H-3,1-benzoxazine-2,4(1H)-dione (63480-11-5)

Guidance literature:

With cetyltrimethylammonim bromide; triphenylphosphine; In acetonitrile; at 60 ℃; for 24h; under 760.051 Torr;

upstream raw materials:

6-methylindoline-2,3-dione

chloroformic acid ethyl ester

4-methylanthranilic acid

phosgene

Downstream raw materials:

methylammonium carbonate

4-methylanthranilic acid

C₈H₁₁N₃O

2-amino-N,4-dimethylbenzamide