3-Methylphthalic anhydride

Base Information

• Chemical Name: 3-Methylphthalic anhydride
• CAS No.: 4792-30-7
• Molecular Formula: C9H6O3
• Molecular Weight: 162.145
• Hs Code.: 2932999099
• European Community (EC) Number: 225-344-0
• NSC Number: 61875
• UNII: BJC50EL71I
• DSSTox Substance ID: DTXSID0063606
• Nikkaji Number: J262.457E
• Wikidata: Q72495500
• ChEMBL ID: CHEMBL1814074
• Mol file: 4792-30-7.mol

Synonyms:3-Methylphthalic anhydride;4792-30-7;4-methylisobenzofuran-1,3-dione;1,3-Isobenzofurandione, 4-methyl-;Phthalic anhydride, 3-methyl-;2,3-Toluenedicarboxylic anhydride;3-Methyl phthalic anhydride;4-Methyl-2-benzofuran-1,3-dione;30140-42-2;METHYLPHTHALIC ANHYDRIDE;1,3-Isobenzofurandione, methyl-;4-methyl-1,3-dihydro-2-benzofuran-1,3-dione;MFCD00047316;BJC50EL71I;4-Methyl-1,3-isobenzofurandione;4-methyl-isobenzofuran-1,3-dione;EINECS 225-344-0;NSC 61875;NSC-61875;2-Methylphthalic anhydride;UNII-BJC50EL71I;SCHEMBL166198;CHEMBL1814074;DTXSID0063606;NSC61875;4-Methyl-2-benzofuran-1,3-dione #;AKOS004122954;AS-33235;SY049258;AM20040541;CS-0153411;FT-0616175;FT-0636751;M1464;EN300-82741;A19948;W-202838

Chemical Property of 3-Methylphthalic anhydride

Chemical Property:

• Appearance/Colour: pale yellow to pale brown crystalline powder
• Vapor Pressure: 0.000432mmHg at 25°C
• Melting Point: 114-118 ºC
• Refractive Index: 1.597
• Boiling Point: 315.6 ºC at 760 mmHg
• Flash Point: 153.3 ºC
• PSA: 43.37000
• Density: 1.364 g/cm³
• LogP: 1.30560
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.031694049
• Heavy Atom Count: 12
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

3-Methylphthalic Anhydride >96.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C(=O)OC2=O
• Uses: 3-Methylphthalic anhydride can react with Methylamine hydrochloride to get 2,3-Dihydro-2,4-dimethyl-1H-isoindole-1,3-dione.

Technology Process of 3-Methylphthalic anhydride

There total 61 articles about 3-Methylphthalic 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: 95.0%

ortho-methylbenzoic acid (118-90-1) + carbon monoxide (201230-82-2) → 3-methylphthalic acid anhydride (4792-30-7)

Guidance literature:

ortho-methylbenzoic acid; With sodium hydroxide; In water; at 20 ℃;

With palladium diacetate; In 1,4-dioxane; at 100 ℃; for 2h;

carbon monoxide; In 1,4-dioxane; at 24 ℃; for 12h;

DOI:10.1021/ja8063827

Reference yield: 81.0%

1-methyl-7-oxa-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid anhydride (6345-56-8) → 3-methylphthalic acid anhydride (4792-30-7) + C9H10O4

Guidance literature:

With zeolite Y with a silica-alumina; at 175 ℃; for 2h; Temperature; Inert atmosphere;

Reference yield: 80.0%

1-methyl-7-oxa-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid anhydride (6345-56-8) → 3-methylphthalic acid anhydride (4792-30-7) + 3-methylcyclohexene-1,2-dicarboxylic acid anhydride (23939-61-9)

Guidance literature:

With zeolite Y catalyst that contained 1%wt Pd (“Pd/H-Y”); at 200 ℃; Reagent/catalyst; Inert atmosphere;

upstream raw materials:

2-methylfuran

maleic anhydride

3-methylphthalic acid

4,5-dimethylphthalic anhydride

Downstream raw materials:

3-methyl-2-o-toluoyl-benzoic acid

2-methyl-6-o-toluoyl-benzoic acid

2-(2-chloro-4-hydroxy-benzoyl)-3-methyl-benzoic acid

2-(3-chloro-4-hydroxy-benzoyl)-3-methyl-benzoic acid

Refernces

Characterization of novel aminobenzylcantharidinimides and related imides by proton NMR spectra and their effects on NO induction

10.1002/jccs.201400228

The study focuses on the synthesis and characterization of novel aminobenzylcantharidinimides and related imides using proton NMR spectra. Researchers reacted various acidic anhydrides, including cantharidin, with aminobenzylamines and triethylamine to produce a series of imides with yields ranging from 35% to 87%. These compounds were evaluated for their effects on nitric oxide (NO) induction, and the results showed that para-aminobenzylic imides were more effective in inhibiting NO synthesis compared to their ortho and meta counterparts. The most potent compound, 3fp, demonstrated 35% inhibition of inducible NO synthase (iNOS). The findings provide insights into the structure-activity relationships of these compounds and their potential as therapeutic agents.

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