Description

4-Amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione (CAS No. 2257-85-4) is a high-purity organic compound with the molecular formula C₉H₈N₂O₂. This heterocyclic compound features an isoindole-1,3-dione core substituted with an amino group at the 4-position and a methyl group at the 2-position, making it a valuable intermediate in pharmaceutical and agrochemical research. Its IUPAC name is 4-amino-2-methylisoindole-1,3-dione, and it is available in various purities to meet stringent laboratory requirements. This compound is particularly useful in the synthesis of bioactive molecules, heterocyclic derivatives, and as a building block in medicinal chemistry. Proper storage in a cool, dry environment is recommended to maintain stability.

Properties

• CAS Number: 2257-85-4
• Complexity: 264
• IUPAC Name: 4-amino-2-methyl-isoindoline-1,3-dione
• InChI: InChI=1S/C9H8N2O2/c1-11-8(12)5-3-2-4-6(10)7(5)9(11)13/h2-4H,10H2,1H3
• InChI Key: MQJSMQLGNZNTFD-UHFFFAOYSA-N
• Exact Mass: 176.058577502
• Molecular Formula: C9H8N2O2
• Molecular Weight: 176.17
• SMILES: CN1C(=O)C2=C(C1=O)C(=CC=C2)N
• Topological: 63.4
• Monoisotopic Mass: 176.058577502
• Synonyms: 4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione, 834-193-5, 2257-85-4, 4-Amino-2-methyl-isoindole-1,3-dione, 4-amino-2-methylisoindoline-1,3-dione, 4-amino-2-methylisoindole-1,3-dione, 3-amino-n-methylphthalimide, 4-Amino-2-methyl-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 4-amino-2-methyl-, 4-amino-2-methylbenzo[c]azoline-1,3-dione, 3-Amino-N-methyl-phthalimid, Oprea1_206009, SCHEMBL2036747, SCHEMBL27278785, DTXSID20945222, SBB085479, AKOS000153568, FS-6469, SB64814, DB-099104, ST50265318, EN300-52584, G41690, 4-Amino-2-methyl-1H-isoindole-1,3(2H)-dione #, F1386-0359, Z285165008

Application

4-Amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly those targeting neurological and inflammatory pathways. Researchers utilize this compound in the development of isoindole-based scaffolds for drug discovery. Its reactive amino and carbonyl groups enable versatile functionalization, making it suitable for coupling reactions and heterocyclic derivatization. Additionally, it finds applications in material science for the preparation of specialty polymers and dyes.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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