2-[3-(1,2-Dihydro-2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl)propyl]-1H-isoindole-1,3(2H)-dione - CAS 116212-54-5
Catalog: |
BB062937 |
Product Name: |
2-[3-(1,2-Dihydro-2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl)propyl]-1H-isoindole-1,3(2H)-dione |
CAS: |
116212-54-5 |
Synonyms: |
2-(3-(2-Methyl-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-3-yl)propyl)isoindoline-1,3-dione |
IUPAC Name: | 2-[3-(2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl)propyl]isoindole-1,3-dione |
Description: | 2-[3-(1,2-Dihydro-2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl)propyl]-1H-isoindole-1,3(2H)-dione is an intermediate in the synthesis of Peramine (P285302), a naturally occuring pyrrolopyrazine alkaloid produced by endophytes that protect the grass against grazing by mammals and insects. |
Molecular Weight: | 335.36 |
Molecular Formula: | C19H17N3O3 |
Canonical SMILES: | CN1C(=CN2C=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O |
InChI: | InChI=1S/C19H17N3O3/c1-20-13(12-21-10-5-9-16(21)19(20)25)6-4-11-22-17(23)14-7-2-3-8-15(14)18(22)24/h2-3,5,7-10,12H,4,6,11H2,1H3 |
InChI Key: | ZSVHQLKNEAGZQZ-UHFFFAOYSA-N |
Melting Point: | 173-176°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly, Heated) |
Appearance: | Light Yellow Solid |
Storage: | Refrigerator |
References: | Dumas, D. J., et al. J. Org. Chem., 53, 4650 (1988). |
Complexity: | 605 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 335.12699141 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 335.12699141 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 62.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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